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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
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
963.20
0.5
13
19
318.37
13
(1S,2R,5S,7R,8R,10S,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5R,6S)-4,5-dihydroxy-4,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]ethyl]-8,14-dihydroxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one
654.80
-0.3
8
12
206.6
5
(1S,2R,5S,7R,8R,10S,11S,14S,15S)-14-[(1R)-1-[(2R,4R,5R,6S)-4,5-dihydroxy-4,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]ethyl]-14-hydroxy-8-methoxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one
668.80
0.3
7
12
195.6
6
(1S,2R,5S,7R,8R,10S,11S,14S,15S)-8,14-dihydroxy-14-[(1R)-1-[(2R,4R,5R,6S)-5-hydroxy-4-methoxy-4,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]ethyl]-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one
668.80
0.3
7
12
195.6
6
(1S,2R,5S,7R,8R,10S,11S,14S,15S)-14-[(1R)-1-[(1R,2S,4R,6S)-1,6-dimethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-8,14-dihydroxy-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-3-one
636.80
0.7
6
11
178.67
5
[(1S,3R,3'S,4R,5R,6S,7R,8S,10S,12S,16R,18S,21R)-7-hydroxy-3'-(2-hydroxypropan-2-yl)-4,6,12,17,17-pentamethyl-18-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene-8,2'-oxirane]-3-yl] acetate
676.80
2.2
5
11
167.67
5
[2,4-dihydroxy-6-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-phenylmethanone
392.40
0.7
6
9
156.91
5
(1R,4S,5R,7aS)-1,5-dimethyl-4-(2-methylprop-1-enyl)-2,4,5,6,7,7a-hexahydro-1H-indene
204.35
4.9
0
0
0
1
(1R,4S,5R)-1,5-dimethyl-4-(2-methylprop-1-enyl)-2,3,4,5,6,7-hexahydro-1H-indene
204.35
4.4
0
0
0
1
[(1R,2R,3S,6S,7R,9S,10S,11S,12R,13S,14R)-2,6,9,11,13,14-hexahydroxy-7-(hydroxymethyl)-3,10-dimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
509.50
-1.1
8
10
192.93
5
[(1R,2S,3S,6S,7S,9S,10S,11S,12R,13S,14R)-2,3,6,9,11,13,14-heptahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate
509.50
-1.7
8
10
192.93
4
(1R,2S,5R,8S,9R,17R,18S,21R,24R,26S,27S)-5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-12,14-diene-4,10,22,29-tetrone
510.50
0.7
1
9
125.43
0
(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R,4R,5R,8R)-8-(hydroxymethyl)-1-methyl-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
470.60
4.1
1
6
85.36
2
(1S,2R,5R,7S,9R,11S,12S,15R,16S)-5-methoxy-2,16-dimethyl-15-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
484.60
4
0
6
74.36
2
(2R)-2-[(1R)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl]-5-(methoxymethyl)-4-methyl-2,3-dihydropyran-6-one
502.60
2.7
3
7
113.29
5
CID 101131181
502.60
1.1
3
8
129.12
2
1-[(1R,3R,8S,9S,10R,13S,14S)-1-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
608.70
0.3
6
11
175.37
5
(3R)-5,8,9-trimethoxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]quinolin-3-ol
319.40
2.4
1
6
70.04
3
(1R,4aS,5S)-5-[(1R,6S)-6-[(E)-4-[(1S,5R,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-2-en-2-yl]-2-methylcyclohex-2-en-1-yl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
576.90
9.6
2
3
57.53
6
(2S,10R,11R)-10-(3,4-dimethoxyphenyl)-2-hydroxy-4,6-dimethoxy-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,18-pentaen-13-one
554.60
2.6
1
8
101.27
6
methyl (1'S,2S,7'S,9'S)-9'-[(1R)-1-hydroxyethyl]-6-methoxy-3-oxospiro[1H-indole-2,6'-3-azatricyclo[5.3.1.03,8]undecane]-7'-carboxylate
400.50
1.8
2
7
88.1
4
[(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
578.90
11.9
1
4
55.76
10
1-Phenylpropyl acetate
178.23
2.5
0
2
26.3
4
(1R,2R,4R,5R,8R,9S,10R,11R)-4-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
330.40
1.1
2
5
83.83
1
6-O-(3,4,5-Trihydroxybenzoyl)-I(2)-D-glucopyranosyl (3I(2))-3-(I+/--L-arabinopyranosyloxy)-19-hydroxyurs-12-en-28-oate
919.10
3.2
10
17
282.59
9
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