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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
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
630.90
10.3
0
5
61.83
7
Olean-12-en-28-oic acid, 3-[[3-(4-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, methyl ester, [3I(2)(Z)]-
630.90
10.4
0
5
61.83
7
methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
630.90
10.3
0
5
61.83
7
(3aS,9S,9aS)-3a,7-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,4,9,9a-tetrahydrobenzo[f][2]benzofuran-3-one
372.40
2
3
7
105.45
3
6-Methoxy-3-(6-methoxy-8,8-dimethyl-2-oxopyrano[2,3-h]chromen-3-yl)-8,8-dimethylpyrano[2,3-h]chromen-2-one
514.50
5.3
0
8
97.34
3
Caloxanthone B
410.50
6
2
6
89.13
3
(2R)-2-[(1S)-1-[(5S,6S,8R,9S,10R,13S,14R,17R)-6-chloro-5,14,17-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]-1-hydroxyethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
523.10
2
4
7
124.29
2
(1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R,5S)-6-methyl-5-propan-2-ylhept-6-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
454.80
10.8
1
1
20.23
6
[(3S,5S,9R,10R,11R,13R,14R,17R)-17-[(5R)-5-ethyl-6-methylhept-1-en-2-yl]-11-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
546.80
8.7
1
4
63.6
9
[(3S,5S,9R,10R,11R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-11-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
548.80
8.9
1
4
63.6
9
methyl (1S,15R,17R,18S)-17-[(1S)-1-hydroxyethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
354.40
2.4
2
4
65.56
3
(5S)-5-methyl-5-[(5S,8R,9R,10S,13R,14R,17S)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
400.60
8.4
0
2
26.3
1
(2R,3R,4S,4aR,5R,6aR,6bS,8aS,12aS,14aR,14bR)-2,3,5-trihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
518.70
4.4
5
7
135.29
2
[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4-benzoyloxy-5,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] benzoate
698.90
9.1
3
7
113.29
7
17beta-Hydroxy-28-norolean-12-ene-3,16-dione
440.70
5.5
1
3
54.37
0
(2S,3R,4S,4aR,6aR,8aS,12aS,13S,14aR,14bR)-2,3-dihydroxy-13-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid
518.70
3.8
5
7
135.29
3
(1S,2R,4S,7S,8S,11R,12R,18R,20R)-7-(furan-3-yl)-20-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15-dione
456.50
3.5
1
7
98.5
1
(4aR,5aR,8aS,13aS,15aS,15bR)-5a-hydroxy-11-methoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
380.40
1.8
1
5
62.24
1
(4aR,5aR,8aS,13aS,15aS,15bR)-5a-hydroxy-10-methoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
380.40
1.8
1
5
62.24
1
(1S,3R,6R,8R,11S,12S,14R,15S,16R)-12,16-dimethyl-6-(methylamino)-15-[(1S)-1-(methylamino)ethyl]-7-methylidenepentacyclo[9.7.0.01,3.03,8.012,16]octadecan-14-ol
386.60
4.8
3
3
44.29
3
(1R,6S,14S,15S,18S,20S,23R,24S)-20-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacos-2(11)-en-17-one
411.60
3.8
1
3
40.54
0
Sitosterol 3-O-I(2)-galactopyranoside
576.80
7.7
4
6
99.38
9
(2R,3R)-2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
299.40
1.9
2
3
60.77
6
(1R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
329.40
3
2
5
62.16
4
[(1S,2R,4S,7S,8S,11R,12R,13S,17R,19R)-7-(furan-3-yl)-13-methoxy-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate
514.60
3.6
0
8
104.57
4
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