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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
Myrcenol
154.25
3
1
1
20.23
5
kaempferol 3-O-alpha-L-[6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranoside]-7-O-beta-D-glucopyranoside
902.80
-0.4
12
22
354.65
13
[(1S,2S,3'S,4S,4'S,6S,7R,8R,9S,12S,13R,14R,16R)-14-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-5-acetyloxy-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3',16-dihydroxy-9,13-dimethyl-5'-methylidene-4'-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-7-yl]methyl acetate
1249.30
-4.6
13
29
426.35
16
D-Ribose
150.13
-2.5
4
5
90.15
0
Cleroindicin C
156.18
-0.7
1
3
46.53
0
(2R)-1-[(2R)-Piperidin-2-yl]pentan-2-ol
171.28
1.7
2
2
32.26
4
2-Heptanol
116.20
2.3
1
1
20.23
4
Methyl (3R)-3,7-dimethyloct-6-enoate
184.27
3.3
0
2
26.3
6
1-Methoxy-9h-pyrido[3,4-b]indole
198.22
2.6
1
2
37.91
1
Epi-bicyclosesquiphellandrene
204.35
4.7
0
0
0
1
1,2-Dehydro-alpha-cyperone
216.32
4
0
1
17.07
1
methyl 4-[(2S)-2-hydroxybut-3-ynoxy]benzoate
220.22
1.7
1
4
55.76
5
(4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carbaldehyde
220.35
4.2
0
1
17.07
1
(2S,4aR,5S,8S)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol
222.37
3.5
1
1
20.23
1
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
228.29
2.4
3
3
58.28
4
8,9-Dehydrothymyl tiglate
230.30
4.6
0
2
26.3
4
(4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one
240.29
-0.2
3
4
77.76
3
(3R,3aS,6S,6aS,9aR,9bS)-3,6,9-trimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione
248.32
2.2
0
3
43.37
0
7-hydroxy-5-(hydroxymethyl)-2-[(2S)-2-hydroxypropyl]chromen-4-one
250.25
0.3
3
5
90.9
3
(1R,4R,5S,9S,13R,14S)-4,13-dimethyl-8-methylidene-10,11-dioxatricyclo[7.4.1.05,14]tetradecan-12-one
250.33
3.7
0
3
35.53
0
(E)-2-Propenyl [3-(2-propenylthio)-2-propenyl] sulfate
250.30
1.8
0
5
86.28
9
(3S,6E,8R,9R)-3,7,11-trimethyldodeca-1,6,10-triene-3,8,9-triol
254.36
2.4
3
3
60.69
7
Isoelacomine
260.33
1.7
3
3
61.36
2
2-Phenylfuro[2,3-h]chromen-4-one
262.26
3.6
0
3
43.35
1
6,7-Dehydroferruginol
284.40
6.5
1
1
20.23
1
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