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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
1-[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-8,11,12,14-tetrahydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
1135.30
-1.5
9
24
328.36
16
[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1367.50
-2.3
17
30
471.74
16
3-Cyclopentene-1-acetaldehyde
110.15
1.1
0
1
17.07
2
(2S,3S)-2-Amino-4-hydroxy-3-methylbutanoic acid
133.15
-3.5
3
4
83.55
3
Ethyl 3-nitropropanoate
147.13
0.2
0
4
69.44
4
3-methyl-2-[(1E)-3-methylbuta-1,3-dienyl]furan
148.20
3.4
0
1
13.14
2
(R)-6-Butyl-1,4-cycloheptadiene
150.26
4.4
0
0
0
3
(4aS,7S,7aR)-7-methyl-4-methylidene-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-3-one
166.22
2.5
0
2
26.3
0
6-Octene-1,3-diol, 3,7-dimethyl-, (3R)-
172.26
1.8
2
2
40.46
5
Phenyl-1,2-Hexanedione
190.24
2.6
0
2
34.14
5
(3-(3-Methyl-1-oxo-2-butenyl))1h indole
199.25
3.5
1
1
32.86
2
Stilbostemin A
244.28
3.9
2
3
49.69
4
(3aS,5R)-7-hydroxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
244.28
2.5
1
3
46.53
0
Arborescin
248.32
1.8
0
3
38.83
0
(3S,3aR,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-ol
250.25
0.8
1
5
57.15
1
(2S)-Glycerol-O-beta-D-galactopyranoside
254.23
-3.4
6
8
139.84
5
Ambreinolide
264.40
4.7
0
2
26.3
0
(-)-Dioxibrassinin
268.40
1.5
3
4
118.75
3
[2-(1-hydroxy-2-methoxypropan-2-yl)-5-methylphenyl] (E)-2-methylbut-2-enoate
278.34
2.4
1
4
55.76
6
Vulgarolid
280.32
1
1
5
72.83
0
Butyl sinapate
280.32
3
1
5
64.99
8
9-acetoxythymol 3-O-tiglate
290.40
3.7
0
4
52.6
7
Dendocarbin K
294.40
2.9
1
4
55.76
2
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate
194.27
2.1
0
2
26.3
2
(E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
304.50
6.3
1
2
37.3
4
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