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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
(3R,4R)-3-[[3-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
554.60
3.1
5
10
155.14
11
4-(6-Hydroxy-5,5-dimethylcyclohexen-1-yl)benzoic acid
246.30
2.5
2
3
57.53
2
(2S,3S,4R,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-8-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
796.90
2.2
9
15
253.13
7
(4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-5-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
678.80
4.6
6
11
183.21
6
(1S,18S,19S,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
498.50
-1
5
10
161.78
3
methyl (6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
339.40
3.3
0
4
48
3
N-beta-D-glucopyranosyl indole-3-acetic acid
337.32
-0.8
5
7
132.38
4
[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] 4-hydroxybenzoate
395.40
-1
5
10
169.7
8
methyl 2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]acetate
351.40
-0.4
4
7
121.38
5
[(E)-2-cyano-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl] 4-hydroxy-3-methoxybenzoate
425.40
-1.1
5
11
178.93
9
Oblonganoside J
692.90
3.2
6
11
175.37
5
(6aR)-1,9,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
341.40
3
1
5
51.16
3
Ardisianoside B
1371.50
-2.7
18
31
484.13
16
Ardisianoside D
885.10
2.1
9
16
246.68
7
Ardisianoside F
1225.40
-2.5
16
27
425.21
14
Ardisianoside G
1063.20
-0.9
13
22
346.06
10
Ardisianoside I
1091.20
-0.8
13
23
363.13
11
Ardisianoside K
1075.20
-1
13
22
349.36
12
Ardisianoside A
1533.60
-4.9
21
36
563.28
19
Ardisianoside C
899.10
2.5
9
16
246.68
7
Ardisianoside E
931.10
0.6
11
18
287.14
9
Ardisianoside H
1547.60
-5.1
21
37
580.35
19
Ardisianoside J
1089.20
-0.9
12
23
359.97
11
[(1S,2R,4S,5R,6R,7S,9R,12R)-4,5-diacetyloxy-7,12-dibenzoyloxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl benzoate
698.80
6.5
0
11
140.73
14
caseanigrescen D
504.60
4.8
1
8
108.36
12
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