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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
9Z-octadecadien-4R-olide
280.40
6.1
0
2
26.3
12
[(1R,2E,6S,7R,8R)-7,8-dihydroxy-3-methyl-9-methylidene-6-propan-2-ylcyclodec-2-en-1-yl] acetate
296.40
2
2
4
66.76
3
(4R,4aS,7R,8S,8aS)-8-[2-(furan-3-yl)-2-oxoethyl]-4,4a,7,8-tetramethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
316.40
4.1
0
3
47.28
3
(1S,4S,5R,9R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carbaldehyde
318.40
2.7
2
3
57.53
2
4-O-alpha-D-Glucopyranosylmoranoline
325.31
-4.5
8
10
172.1
4
(E)-14-(1,3-benzodioxol-5-yl)tetradec-13-en-2-one
330.50
6.8
0
3
35.53
12
2-Tetradecanone, 14-(1,3-benzodioxol-5-yl)-
332.50
7
0
3
35.53
13
Crotaramin
338.40
4.6
1
4
55.76
5
1,7-Dimethylnaphthalene
156.22
4.4
0
0
0
0
5-Methoxy-2-(4-methoxyphenyl)-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
366.40
3.8
0
5
53.99
3
Ethyl chlorogenate
382.40
0.3
5
9
153.75
7
(1S,3R,5S,6S,8S)-5-bromo-3-[(1S)-1-bromopropyl]-8-[(Z)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.1]nonane
392.13
4.2
0
2
18.46
4
1,3-Dimethylnaphthalene
156.22
4.4
0
0
0
0
Descurainolide B
402.40
2.9
2
8
103.68
6
5-O-methyl-(E)-resveratrol 3-O-beta-D-glucopyranoside
404.40
1.4
5
8
128.84
6
(3S,4S)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
416.40
3.4
1
8
92.68
7
5-Hydroxy-4-(4-hydroxyphenyl)-10,10,16,16-tetramethyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,4,7,13-tetraen-6-one
422.50
4.6
2
6
89.13
1
(1S,4R,6R,7S,10R)-10-hydroxy-7-methyl-4-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-12-oxatricyclo[5.3.2.01,6]dodecan-11-one
430.50
-0.5
5
9
145.91
4
1,6-Dimethylnaphthalene
156.22
4.4
0
0
0
0
[3-hydroxy-2-[11-oxo-11-(2,4,6-trihydroxyphenyl)undecyl]phenyl] Acetate
444.50
6.5
4
7
124.29
14
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
468.40
-0.5
7
12
195.6
8
(1S,2R,4aS,6aR,6aS,6bR,8aR,10E,12aR,14bS)-10-hydroxyimino-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
469.70
7.3
2
4
69.89
1
(1S,3S,5R,7R,10S,11R,14S,15R,18R,19S,20R)-7,18-dihydroxy-19-(hydroxymethyl)-1,6,6,10,15,19-hexamethylpentacyclo[12.8.0.03,11.05,10.015,20]docosane-3-carbaldehyde
474.70
6.2
3
4
77.76
2
Caseargrewiin A
532.70
5.8
0
8
97.36
13
(E)-Resveratrol 3-(6''-galloyl)-O-beta-D-glucopyranoside
542.50
1.9
8
12
206.6
8
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