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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
7H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline-7-carboxaldehyde,5,6,7a,8-tetrahydro-, (7aR)-
293.30
2.8
0
3
38.77
0
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-6,8-bis(3-methyl-2-butenyl)-, (2S)-
476.60
8.2
3
5
86.99
7
1-Phenanthrenemethanol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-, (1S,4aR,4bS,7S,10aR)-
288.50
5.4
1
1
20.23
2
Margaspidin
446.50
4.9
5
8
144.52
9
(4aR,5R,6aR,6aS,6bR,8aR,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-sulfooxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
552.80
6.5
3
7
129.51
3
[(1R,2S,4R,8R,9R,11R,12R)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
368.40
1.8
2
7
102.29
3
5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-, (7aS-cis)-
281.30
1.7
2
4
50.72
0
N-Desmethylcycleanine
608.70
6.2
1
8
70.65
4
Avocadene
286.40
4.8
3
3
60.69
15
Benzoic acid, 2-(1-methyl-2-pyrrolidinyl)-, (S)-
205.25
-0.5
1
3
40.54
2
(3aR,5aR,8aR,9R,9aS)-9-hydroxy-1,5,8-trimethylidene-3a,4,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-2-one
246.30
1.6
1
3
46.53
0
6-(3-Hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one
232.32
3.6
1
2
37.3
4
beta-D-Glucopyranoside, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-4-methylcyclopenta(c)pyran-1-yl
332.35
-1.5
5
8
128.84
3
Flavidin
240.25
2.7
2
3
49.69
0
Asparanin D
1019.20
0.1
11
21
314.83
10
Asparoside D
1199.30
-2.5
16
27
425.21
17
Asparoside C
1213.40
-1.9
15
27
414.21
18
[(1S,3R,5S,7R,9S,10S,12R,14S,15S,18R,19R,22S,23R)-10,22-dihydroxy-7,14,18-trimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate
560.70
2.3
2
9
120.75
3
Asparanin C
857.00
1.7
8
16
235.68
7
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
580.50
-1.1
8
14
225.06
6
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
937.00
-2.7
13
22
353.9
12
Pentanoic acid, 2-hydroxy-2-(1-hydroxyethyl)-3-methyl-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester
297.39
0.9
2
5
70
7
4-(3,7-Dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
378.50
6.7
3
4
73.83
6
Alpha-Arbutin
272.25
-0.7
5
7
119.61
3
(1S,2R,4R,5S,7S,11S,12S,15R,16S)-4,5-dihydroxy-15-[(2S,3R,5S)-3-hydroxy-5,6-dimethyl-4-oxoheptan-2-yl]-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
478.70
4.9
3
6
104.06
5
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