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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
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
1209.30
-4.4
15
28
431.28
14
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-10-one
1209.30
-4.4
15
28
431.28
14
(2R,3R,4S,5S,6R)-2-[(1S,2S,4S,4'S,5'S,6R,7S,8R,9S,12S,13R,15R,16R)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-4'-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1389.40
-6.3
20
34
533.82
17
Bicyclo[2.2.1]heptane, 1,3,3-trimethyl-, (1S,4R)-
138.25
4
0
0
0
0
1-Deuteriodecane
143.29
5
0
0
0
7
cis-3-Butyl-4-vinylcyclopentene
150.26
4.2
0
0
0
4
(1R,2R,4R,5R)-cyclohexane-1,2,3,4,5-pentol
164.16
-2.7
5
5
101.15
0
Trimethylthiophene-2-carboxylicacid
170.23
2.6
1
3
65.54
1
2,9-Dihydro-1H-pyrido[3,4-b]indol-1-one
184.19
1.8
2
1
48.65
0
(5S)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methylcyclohex-2-en-1-one
184.23
0.1
2
3
57.53
2
(E)-oxacyclotridec-10-en-2-one
196.29
3.7
0
2
26.3
0
8-Methyl-5-propan-2-ylnaphthalen-2-ol
200.28
4.3
1
1
20.23
1
3-(3-Methylbutylidene)-1(3H)-isobenzofuranone
202.25
3.4
0
2
26.3
2
1,7-di-epi-alpha-Cedrene
204.35
4.6
0
0
0
0
(1R)-1-Phenyl-2-[(2R)-piperidin-2-yl]ethanol
205.30
1.9
2
2
32.26
3
4-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]butan-2-one
210.31
1.4
1
2
37.3
3
5-Acetyl-4-hydroxy-2-isopropenylbenzofuran
216.23
3.6
1
3
50.44
2
(1R,6R,7R,8R)-2,2,6,7-tetramethyltricyclo[5.2.2.01,6]undecan-8-ol
222.37
4.4
1
1
20.23
0
(-)-Hinesol
222.37
3.7
1
1
20.23
1
(1S,2R,4aS,8aS)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-decahydronaphthalen-2-ol
240.38
3.9
2
2
40.46
1
Pterodondiol
240.38
3
2
2
40.46
1
2,5-Dihydroxy-4-methoxy-9H-fluoren-9-one
242.23
2.3
2
4
66.76
1
Dendocarbin B
250.33
2
1
3
46.53
0
Hexadecane-8,9-dione
254.41
5.6
0
2
34.14
13
5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol
258.27
3.1
3
4
69.92
3
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