Organism

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Organism

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Chemical Name: 2-Undecanone			Synonyms Methyl nonyl ketone 2-Oxoundecane Methyl n-nonyl ketone NSC4028		AIDS# 014153
					Links to ChemID Plus by CAS# 112-12-9
					Links to PubChem by AIDS# 014153

C11 H22 O		MW: 170.29			Links to PubMed by CAS#
H-bond donors: 0	H-bond acceptors: 1	PHIA (Flexible Bonds): 8.52	Calc. LogP (MDL QSAR): 4.46
Company:			Calc. LogP (KowWin): 3.69
Lines of Data: 3	Anti-HIV Enzyme data: 0	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 0	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: NATURAL PRODUCTS; KETONES

Chemical Name: 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-			Synonyms Adanon Adolan Althose Fenadone (Hydrochloride) Phenadone (Hydrochloride) Dolophine (Hydrochloride) Diaminon Methadone Dolophin Heptadone (Hydrochloride) Heptanon (Hydrochloride) Ketalgin Metasedin Physeptone Racemic methadone Sedo-Rapide AN-148 (Hydrochloride) Hoescht 10820 (Hydrochloride)		AIDS# 034412
					Links to ChemID Plus by CAS# 76-99-31095-90-5 [HYDROCHLORIDE]
					Links to PubChem by AIDS# 034412
HYDROCHLORIDE; RACEMIC MIXTURE
C21 H27 N O		MW: 309.45			Links to PubMed by CAS#
H-bond donors: 0	H-bond acceptors: 2	PHIA (Flexible Bonds): 5.73	Calc. LogP (MDL QSAR): 3.88
Company: HOESCHT; MERCK			Calc. LogP (KowWin): 4.17
Lines of Data: 2	Lines of Data: 2	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 1	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: KETONES; AMINES

Chemical Name: 2,2-Dimethyl-3,4,4a,10b-tetrahydro-2H-benzo[h]chromene-5,6-dione			Synonyms Beta-Lapachone		AIDS# 154730
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 154730

C15 H16 O3		MW: 244.29			Links to PubMed by CAS#
H-bond donors: 0	H-bond acceptors: 3	PHIA (Flexible Bonds): 2.42	Calc. LogP (MDL QSAR): 2.3
Company:			Calc. LogP (KowWin): 2.03
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 1	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: KETONES

Chemical Name: {3-[(2E)-3,7-Dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl}(phenyl)methanone			Synonyms		AIDS# 154739
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 154739

C23 H26 O4		MW: 366.45			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 4	PHIA (Flexible Bonds): 7.25	Calc. LogP (MDL QSAR): 6.65
Company:			Calc. LogP (KowWin): 7.91
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 2	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 3 (Score, out of 4)
Classes: KETONES; BENZOPHENONES; PHLOROGLUCINOLS

Chemical Name: 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-diundecyl-			Synonyms		AIDS# 164587
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 164587

C28 H48 O4		MW: 448.68			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 4	PHIA (Flexible Bonds): 16.36	Calc. LogP (MDL QSAR): 7.44
Company:			Calc. LogP (KowWin): 9.8
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 1	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 3 (Score, out of 4)
Classes: KETONES; QUINONES

Chemical Name: 2,5-Cyclohexadiene-1,4-dione, 2,5-dibenzoyl-			Synonyms		AIDS# 164588
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 164588

C20 H12 O4		MW: 316.31			Links to PubMed by CAS#
H-bond donors: 0	H-bond acceptors: 4	PHIA (Flexible Bonds): 4.12	Calc. LogP (MDL QSAR): 3.45
Company:			Calc. LogP (KowWin): 2.04
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 1	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: KETONES; QUINONES

Chemical Name: 4-Cyclohexene-1,3-dione, 2-[(2E)-1-hydroxy-3-phenyl-2-propenylidene]-5-methoxy-4,6,6-trimethyl-, (2E)-			Synonyms		AIDS# 165363
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 165363

C19 H20 O4		MW: 312.36			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 4	PHIA (Flexible Bonds): 4.78	Calc. LogP (MDL QSAR): 4.56
Company:			Calc. LogP (KowWin): 2.35
Lines of Data: 1	Anti-HIV Enzyme data: 0	Anti-OI data: 0	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 1	Number of References: 0	Number of References: 0	Lipinski: 4 (Score, out of 4)
Classes: KETONES

Chemical Name: (2E)-1-(4-Ethoxy-2-hydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one			Synonyms Ro 09-0410		AIDS# 165434
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 165434

C19 H20 O5		MW: 328.36			Links to PubMed by CAS#
H-bond donors: 1	H-bond acceptors: 5	PHIA (Flexible Bonds): 6.4	Calc. LogP (MDL QSAR): 4.63
Company:			Calc. LogP (KowWin): 4.69
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 39	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 4	Lipinski: 4 (Score, out of 4)
Classes: KETONES; CHALCONES

Chemical Name: 2-Propen-1-one, 1-[3-[(2E)-3,7-dimethyl-2,6-octadienyl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)-			Synonyms Xanthoangelol		AIDS# 185983
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 185983

C25 H28 O4		MW: 392.49			Links to PubMed by CAS#
H-bond donors: 3	H-bond acceptors: 4	PHIA (Flexible Bonds): 8.28	Calc. LogP (MDL QSAR): 6.49
Company:			Calc. LogP (KowWin): 7.64
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 4	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 3 (Score, out of 4)
Classes: KETONES; ALKADIENES

Chemical Name: 2-Propen-1-one, 1-[2-hydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-			Synonyms 4-Hydroxyderricin		AIDS# 185984
					Links to ChemID Plus by CAS#
					Links to PubChem by AIDS# 185984

C21 H22 O4		MW: 338.4			Links to PubMed by CAS#
H-bond donors: 2	H-bond acceptors: 4	PHIA (Flexible Bonds): 6.42	Calc. LogP (MDL QSAR): 4.85
Company:			Calc. LogP (KowWin): 5.91
Anti-HIV Cellular data: 0	Anti-HIV Enzyme data: 0	Lines of Data: 4	TB Min MIC	TB Min IC50	Links to NIST by AIDS#
Number of References: 0	Number of References: 0	Number of References: 1	Lipinski: 4 (Score, out of 4)
Classes: KETONES; ALKADIENES

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