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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
2-[(2R,3R,3aR,5aR,6E,9aS,9bS)-3-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(cyanomethylidene)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-1,2,3,4,9,9a-hexahydrocyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid
569.70
2.6
3
9
161.99
8
(1S,2R,6S,7S,9R,11R,12R,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12,15-dihydroxy-6-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
516.60
1.2
3
8
125.82
3
(1S,3S,3aS,5R,8aS)-3-methyl-8-methylidene-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene-1,8a-diol
236.35
2.7
2
2
40.46
1
(1R,4aR,5S,8aR)-5-[(Z)-4-carboxy-3-methylbut-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
334.40
4.8
2
4
74.6
5
3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7-methoxy-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
572.80
5.5
2
7
110.13
10
Ergosta-2,24-dien-26-oic acid, 6-chloro-5,14,17,20,22-pentahydroxy-1-oxo-, I-lactone, (5I(2),6I+/-,17I+/-,22R)-
523.10
2
4
7
124.29
2
4-(1,7-Diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-yl)butanoic acid
260.33
1.9
1
4
53.43
4
methyl (1S,2S,6S,8aR)-6-[(2R,4R,5S,6R)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-2-[3-[(2S,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]propanoyl]-8a-methyl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylate
578.70
3.1
0
10
123.66
11
(3S,3aR,5R,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,4,5,6,7,8a-octahydroazulene-3a,8-diol
238.37
2.9
2
2
40.46
1
(4R)-4-(6-aminopurin-9-yl)-5,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
311.30
1
3
7
127.15
1
7-hydroxy-6-methoxy-1H-quinolin-2-one
191.18
0.9
2
3
62.32
1
[(1R,5S,6R)-3-(hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate
364.40
3.7
1
6
89.9
8
4-(1,7-Diazatricyclo[7.3.1.05,13]trideca-5(13),6-dien-6-yl)butanoic acid
262.35
0.8
1
4
52.9
4
(1S,2R,7S,9R,11R,12R,15S,16S)-12,15-dihydroxy-15-[(1S)-1-hydroxy-1-[(2R,3S)-3-hydroxy-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
502.60
1.2
4
8
136.82
2
(1S,2R,7S,9R,11R,12R,16R)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-12-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-3-one
468.60
2.2
2
6
96.36
2
(3S,5R,8S,9R,10R,13R,14S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
444.70
8.5
2
2
40.46
4
(4aS,6aS,6bR,8aS,10S,12aR,14aS,14bS)-10-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2,2,6b,9,9,12a,14a-heptamethyl-12-oxo-3,4,5,6a,7,8,8a,10,11,13,14,14b-dodecahydro-1H-picene-4a-carboxylic acid
646.90
8.8
2
7
110.13
6
[(1S,2S)-2-[(1R,3S,7R,10S,13R,15R,16S,18R)-2,15-dihydroxy-9,9,18-trimethyl-5,14-dioxo-4,8,21-trioxahexacyclo[13.5.1.01,13.03,7.03,10.016,18]henicosan-17-yl]-1-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]propyl] acetate
588.60
1.3
2
11
154.89
5
(1S,9R,10S,14S,15R)-5,15-dihydroxy-3,13-dimethoxy-4-methyl-12-(3-oxo-3-phenylpropyl)-9-phenyl-8-oxatetracyclo[7.5.1.110,14.02,7]hexadeca-2(7),3,5,12-tetraene-11,16-dione
554.60
3.5
2
8
119.36
7
(4aR,5S,6S,8aR)-5-[(E)-4-carboxy-3-methylbut-3-enyl]-6,8a-dimethyl-5,6,7,8-tetrahydro-4aH-naphthalene-1-carboxylic acid
318.40
4.9
2
4
74.6
5
(1R,2R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6,14-dione
262.35
0.6
0
2
40.62
0
[(2S,3R,4S,5R)-4,5-dihydroxy-2-[[(1S,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,22R)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-9-yl]oxy]oxan-3-yl] acetate
660.80
3.5
4
10
144.14
5
(1S,2R,7S,9R,11S,12S,16S)-15-[(2R,3R)-2,3-dihydroxy-4-[(3S,4R)-4-methyl-5-oxooxolan-3-yl]butan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadeca-4,14-dien-3-one
470.60
2.8
2
6
96.36
4
(1R,6S,13R)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
410.40
4.3
1
7
83.45
3
(5R,9R,10R,13S,14S,17S)-17-[(3S,5R,6R)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-2,5,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
486.70
4.7
2
5
83.83
2
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