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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
[(1R,2R,3R,4S,5S,7R,9S,10R,11S,13S,15R)-9,15-diacetyloxy-2-benzoyloxy-7-hydroxy-5,9,12,12-tetramethyl-4-(2-methylpropanoyloxy)-8-oxo-1-tetracyclo[8.5.0.03,7.011,13]pentadecanyl]methyl pyridine-3-carboxylate
747.80
5.4
1
13
181.69
14
(1S,2R,5R,6S,9R,10R,13R,14R,15R)-6-(hydroxymethyl)-2,6,9-trimethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosa-7,17-diene-1-carboxylic acid
424.60
6.3
2
3
57.53
3
(5R,6S,7S,8R,9R,10R,13S,17S)-6,7-dihydroxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one
506.70
3.3
5
6
118.22
5
[(1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,8,10-triacetyloxy-3a,6,8a-trihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate
616.70
2.8
3
11
165.89
9
(2R)-2-[(1R)-1-hydroxy-1-[(5R,6R,8R,9S,10R,13S,14S,15S,17S)-5,6,15-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
488.60
2.1
4
7
124.29
2
[(5R,6R,8R,9S,10R,13R,14S,15S,17R)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-15-yl] acetate
514.60
3.9
2
7
110.13
4
methyl (2S)-2-[(4S,5R,9R,10R,13S,14S,17S)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoate
484.70
7.1
1
4
63.6
7
(10R,13S,14S,17S)-17-[(2S,3S,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-ethoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,12,15,16,17-hexahydrocyclopenta[a]phenanthren-3-one
512.70
4.8
2
5
75.99
5
2,6-Dimethylquinoline
157.21
3
0
1
12.89
0
(5R,10S,13S,14S,17R)-17-[(2S,3R,5S)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-ethoxy-3-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
530.70
3.8
3
6
96.22
5
(3R,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5S)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
470.70
7.7
1
3
38.69
3
(3S,5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5S)-2-methoxy-5-(2-methylprop-1-enyl)oxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
470.70
7.7
1
3
38.69
3
(2R)-4,5-dimethyl-2-[(1S)-1-[(5R,6R,8R,9S,10R,13R,14S,15R)-5,6,14,15-tetrahydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one
486.60
1.4
4
7
124.29
2
(1R,2S,3S,4S,6R,7S,10S,11R,16R,17R)-6-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,3,16,17-tetrahydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-12-one
502.60
1
4
8
136.82
2
[(1S,2S,3aR,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9,10-tetraacetyloxy-11-benzoyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-13-yl] benzoate
760.80
6.3
0
13
174.87
14
9-(2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthren-3-yl)-5,7-dimethoxyphenanthrene-4,10-diol
510.50
6.5
4
7
108.61
4
[(1R,2S,3S,4S,5S,7R,9S,10R,14R)-2-acetyloxy-1-(acetyloxymethyl)-3,7-dihydroxy-5,9,12,12-tetramethyl-8,13-dioxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate
570.60
2.2
2
10
153.5
8
(1S,5S,9R,11S,12R)-1-benzoyl-5-hydroxy-4,4,12-trimethyl-9,11-bis(3-methylbut-2-enyl)-12-(4-methylpent-3-enyl)-3-oxatricyclo[7.3.1.02,7]tridec-2(7)-ene-8,13-dione
586.80
8.7
1
5
80.67
9
(1S,6S,9R,10S,13S)-10-benzoyl-1-[(2S)-2,3-dihydroxy-3-methylbutyl]-6-(2-hydroxypropan-2-yl)-9-methyl-3,13-bis(3-methylbut-2-enyl)-5-oxatricyclo[7.2.2.04,10]tridec-3-ene-2,11-dione
620.80
6.3
3
7
121.13
10
3,10-Dihydroxy-2,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
339.30
2.4
2
5
80.92
2
5-[(1R)-1-[(1R,2S)-2-[(1R,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropyl]-3-oxocyclopentyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
472.60
4.4
3
7
128.97
10
[(1S,2R,3S,4R,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,8,12-tetraacetyloxy-5,9,12-trimethyl-15-(2-methylbutanoyloxy)-16-oxo-4-propanoyloxy-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-5-yl] benzoate
826.90
4
0
16
210.4
18
(1R,2R,5S,8R,9R,10R,13R,14R,15S,16S,18R)-16-(4-hydroxybenzoyl)oxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
606.80
8.9
3
7
121.13
6
(4S,8R)-8,14-dihydroxy-16-methoxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-2-one
308.40
3
2
5
75.99
1
[(5S,6S,8R,9S,10R,13R,14S,15S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,6,14-trihydroxy-10,13-dimethyl-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate
528.60
1.9
3
8
130.36
4
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