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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,3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
407.50
5
2
5
59.95
4
Andirobin
468.50
3.3
0
7
95.34
5
1-[3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
328.31
-1.4
4
8
125.68
5
Anhydroophiobolin A
382.50
4.5
0
3
43.37
2
Anhydroepiophiobolin A
382.50
4.5
0
3
43.37
2
(1R,2S,4S,5S,6R,7S,8S,11S)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
328.31
-1.9
4
8
133.52
0
(1S,2R,4R,5R,6S,7R,8S,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
328.31
-1.9
4
8
133.52
0
2,2,3-trimethyl-5-[(E)-prop-1-enyl]-3H-1-benzofuran
202.29
3.9
0
1
9.23
1
Apoatropin
271.35
3.6
0
3
29.54
4
(6aS)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
297.30
2.3
2
4
52.93
1
1-Anthrol
194.23
4.1
1
1
20.23
0
(3S,3aS,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
248.32
1.4
1
3
46.53
0
(3R,3aS,9S,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
248.32
1.4
1
3
46.53
0
5-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
384.50
3.9
1
4
67.51
1
(4S)-3,3,6-trimethylhepta-1,5-dien-4-ol
154.25
3.1
1
1
20.23
3
2-(5-Ethenyl-5-methyloxolan-2-yl)-4,4-dimethylhex-5-en-3-one
236.35
3.4
0
2
26.3
5
Cyperenone
218.33
3.4
0
1
17.07
0
(1R,7S,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-3-one
218.33
3.4
0
1
17.07
0
Artocarpetin
300.26
1.7
3
6
100.13
2
Arundoin
440.70
9.5
0
1
9.23
2
Evomonoside
520.70
2.1
4
8
125.68
3
(3,4,6,9,14-Pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) propanoate
426.50
1.3
5
7
127.45
3
(3-Acetyloxy-4,6,9,14,16-pentahydroxy-5,5,9,14-tetramethyl-2-tetracyclo[11.2.1.01,10.04,8]hexadecanyl) propanoate
484.60
0.9
5
9
153.75
5
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bR)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
488.70
5.7
4
5
97.99
2
2alpha,3alpha,24-Trihydroxyurs-12-en-28-oic acid
488.70
5.7
4
5
97.99
2
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