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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
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
416.70
7.7
2
2
40.46
5
Allitol
182.17
-3.1
6
6
121.38
5
Stigmastane-3,6-diol
432.70
8.8
2
2
40.46
6
Amboside
548.70
1.5
3
9
131.75
4
Divaricoside
534.70
1.9
3
8
114.68
4
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-15-[(1S)-1-[(2R,4S,5R)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-6,15-dihydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
488.60
2.3
3
7
116.59
2
(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6,15-dihydroxy-15-[(1S)-1-hydroxy-1-[(2R,4R,5R)-4-hydroxy-4,5-dimethyl-6-oxooxan-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
504.60
1
4
8
136.82
2
Ixocarpalactone B
502.60
1.8
3
8
125.82
0
Napellonine
357.50
1.1
2
4
60.77
1
(1S,2S,4S,7R,8S,11R)-6-acetyl-11-hydroxy-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
386.40
-0.7
1
7
97.66
3
(1S,2S,4S,7R,8S,11R)-6-ethyl-11-hydroxy-1',6'-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
372.40
0.3
1
6
80.59
3
(1S,3S,5S,6S,9R,10R)-10-hydroxy-1',6'-dimethoxy-1-propanoylspiro[7-oxa-2-azatricyclo[4.3.1.03,9]decane-5,3'-indole]-2'-one
388.40
0.3
2
7
97.33
4
Periplocymarin
534.70
1.2
3
8
114.68
4
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
436.50
6.6
3
6
100.13
7
(5R,8R,9R,10R,13R,14R)-4,4,8,10,14-Pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one
314.50
6.1
0
1
17.07
0
(3S,5R,8R,9R,10R,13R,14R)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
316.50
6.4
1
1
20.23
0
allo-Yohimbine
354.40
2.9
2
4
65.56
2
(1R,2S,5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentane-1-carboxylic acid
184.23
1.7
1
3
54.37
3
Dihydrocarveol
154.25
3
1
1
20.23
1
Delcosine
453.60
-1.1
4
8
111.85
5
Frugoside
536.70
0.9
5
9
145.91
4
[(5R,7R,8R,9R,10R,13S,17R)-17-(2-methoxy-5-oxo-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
482.60
4.9
0
6
78.9
4
3,4-Dimethylbenzoic acid
150.17
2.7
1
2
37.3
1
CID 12073158
504.70
4.4
5
6
118.22
2
Adlumidine
367.40
2.6
0
7
66.46
1
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