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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
o-Hydroxyphenyl beta-D-glucoside
272.25
-1.4
5
7
119.61
3
N'-Nitrosoanabasine
191.23
1.5
0
4
45.56
1
(1S,4R,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
220.35
4.3
0
1
12.53
3
9-Hydroxyjasmesoside
590.60
-2
7
14
221.9
13
3,4-Dimethoxy-1-methylquinolin-2(1H)-one
219.24
1.4
0
3
40.46
2
(3S,3aR,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
266.33
1.1
2
4
66.76
0
(3S,3aR,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
266.33
1.2
2
4
66.76
0
(3S,3aR,4S,6E,10E,11aR)-4-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
266.33
0.7
2
4
66.76
1
(3S,3aR,4S,10E,11aR)-4-hydroxy-3,10-dimethyl-6-methylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2,7-dione
264.32
1.3
1
4
63.6
0
(3S,3aR,4S,7R,10E,11aR)-3a,4,5,6,7,8,9,11a-Octahydro-4,7-dihydroxy-3,10-dimethyl-6-methylenecyclodeca[b]furan-2(3H)-one
266.33
0.9
2
4
66.76
0
(1S,3R,5S)-3-hydroxy-7,7-dimethyl-2-methylidenebicyclo[3.1.1]heptan-6-one
166.22
0.7
1
2
37.3
0
(2E)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3E,5E)-4-methyl-6-[(1R,3S)-2,2,3-trimethyl-6-methylidenecyclohexyl]hexa-3,5-dienyl]cyclohexylidene]propanal
470.70
6.5
2
3
57.53
9
1-[6-[2-(Dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-2-(3-hydroxy-4-methoxyphenyl)ethane-1,2-dione
371.40
2.6
1
7
85.3
7
5,5,9-Trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
304.50
6.3
1
2
37.3
1
3-O-trans-p-coumaroyltormentic acid
634.80
7.3
4
7
124.29
5
3-O-cis-p-coumaroyltormentic acid
634.80
7.3
4
7
124.29
5
cis-p-Coumaroylcorosolic acid
618.80
8.7
3
6
104.06
5
3-beta-O-(trans-p-Coumaroyl)maslinic acid
618.80
8.8
3
6
104.06
5
(3S,4S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
474.70
5.5
4
4
80.92
2
(3S,4R,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
474.70
5.5
4
4
80.92
2
(3S,4aR,6aR,6bS,8aR,9R,11S,12aR,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
458.70
6.2
3
3
60.69
1
(3S,4Ar,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol
458.70
6.2
3
3
60.69
1
(3R,4S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol
458.70
6.5
3
3
60.69
0
(2R,3R,4S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-2,9-bis(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol
490.70
5.1
5
5
101.15
2
2,3,7,8,10-pentamethoxy-5-methyl-6H-benzo[c]phenanthridine
395.40
4.3
0
6
49.39
5
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