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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
[(4aR,5R,6S,8aS,9aS)-8a,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
364.40
2.1
2
6
93.06
3
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]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-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1095.30
-0.6
15
23
377.29
15
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
534.70
2.3
3
8
114.68
4
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[5-hydroxy-4-oxo-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-2-yl]phenoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
978.90
-1.2
13
25
393.34
16
(1R,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one
230.30
2.1
0
2
26.3
0
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,11S,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
824.90
1.7
9
16
270.2
8
2,2-Dimethyl-3-(3-methylenepent-4-enyl)oxirane
152.23
3
0
1
12.53
4
(8S,15R)-15-ethyl-5-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2(7),3,5-triene-10,18-dione
326.40
1.5
1
3
60.85
1
(1R,2S)-2-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,6-dimethoxyphenoxy]-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propyl beta-D-glucopyranoside
688.60
1.2
8
16
247.43
12
Trieleostearin
873.30
19.8
0
6
78.9
47
(1S,2R,10R,11S,13R)-6,8-dihydroxy-2,14,14-trimethyl-10-phenyl-3-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-4,6,8-triene-5,7-dicarbaldehyde
406.50
5.2
2
5
83.83
3
(+)-6-Dodecen-4-olide
196.29
3.6
0
2
26.3
6
(S)-4-Dodecanolide
198.30
3.8
0
2
26.3
7
tert-Amyl acetate
130.18
1.5
0
2
26.3
3
(3S,4aR,10bS)-3-(4-hydroxyphenyl)-9-methoxy-4a,5,6,10b-tetrahydro-3H-benzo[f]chromen-8-ol
324.40
3.6
2
4
58.92
2
(3aR,4S,5S)-4-hydroxy-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
274.31
1.9
1
4
55.76
1
2-Methyl-5-propylpyrazine
136.19
1.4
0
2
25.78
2
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aS,14aS,14bR)-10,11,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid
488.70
5.4
4
5
97.99
1
(2E,14Z)-N-(2-methylpropyl)icosa-2,14-dienamide
363.60
9.3
1
1
29.1
18
(E)-3-[(1S,2R,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
570.70
4.9
0
6
77.54
6
(1R,5R,8S)-4-hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
482.70
8.3
1
4
71.44
10
(2S,4S,7S,9R,11R,15R)-15-hydroxy-4,8,8,11,15-pentamethyl-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-1(13)-ene-12,16-dione
332.40
2.2
1
4
66.9
0
Dehydrotomatine
1032.20
-1.5
13
22
337.86
11
(2Z)-5-(2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methylpent-2-enoic acid
234.33
3.5
1
2
37.3
4
2-Amino-1,3,4,5-eicosanetetrol
361.60
4.6
5
5
106.94
18
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