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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
[(4aS,5R,6R,8aS)-8a-(acetyloxymethyl)-5,6-dimethyl-5-(3-methylidenepent-4-enyl)-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate
402.50
4.5
0
5
69.67
10
[(1R,3R,5R,6aS,7R,8R,10S,10aS)-1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
504.60
5
1
8
108.36
11
[(1R,3R,5R,6aS,7R,8R,10S,10aS)-1,3-diacetyloxy-10-methoxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
518.60
5.5
0
8
97.36
12
[(1R,3R,3aR,5R,6aS,7R,8R,10aS)-1-acetyloxy-5-hydroxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3-yl] acetate
420.50
5.3
1
6
82.06
8
[(1R,3R,3aR,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-(3-methylidenepent-4-enyl)-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-5-yl] acetate
462.60
5.8
0
7
88.13
10
5alpha-Hydroxycostic acid
250.33
2.5
2
3
57.53
2
2-[(2R,4aR,8aS)-8a-hydroxy-4a,8-dimethyl-1,2,3,4,5,6-hexahydronaphthalen-2-yl]prop-2-enoic acid
250.33
2.3
2
3
57.53
2
(3R,4aR,8aR)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
238.37
2.3
2
2
40.46
1
(3R,4aS,8aR)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
238.37
2.3
2
2
40.46
1
methyl (1R,2R,4aS)-1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4,5,6-hexahydronaphthalene-2-carboxylate
252.31
1.4
1
4
63.6
2
1-[(3S,3aR,5R,7aS)-3-hydroxy-5-(2-hydroxypropan-2-yl)-7a-methyl-2,3,4,5,6,7-hexahydro-1H-inden-3a-yl]ethanone
254.36
2
2
3
57.53
2
methyl (1S,11S,17R,18S)-18-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
340.40
1.9
2
5
61.8
3
Alstonamic acid
324.40
-1.4
2
4
65.56
1
Phenazocine
321.50
3.8
1
2
23.47
3
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2-hydroxybutanedioic acid
296.23
-0.2
5
8
152.36
6
CID 14707061
452.60
6
0
5
69.67
2
(3aS,4aS,8aR,9aR)-3a-hydroxy-8a-methyl-3,5-dimethylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
248.32
2.3
1
3
46.53
0
Methyl-gamma-costate
248.36
4.5
0
2
26.3
3
[(4S,6E,8S,10R)-8-acetyloxy-10-hydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl] acetate
338.40
3.5
1
5
72.83
11
(9-Methoxy-3,5-dimethyl-5,6-dihydronaphtho[2,3-b]furan-4-yl)methyl 2-methylbut-2-enoate
340.40
5
0
4
48.67
5
[(5S)-9-methoxy-4,5-dimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl]methyl acetate
302.40
4.1
0
4
48.67
4
(5S)-9-methoxy-3,5-dimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-carbaldehyde
258.31
3.8
0
3
39.44
2
[(5S)-4-formyl-9-methoxy-5-methyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl]methyl acetate
316.30
3.2
0
5
65.74
5
(5S,7S)-9-methoxy-3,5,7-trimethyl-6,7-dihydro-5H-benzo[f][1]benzofuran-8-one
258.31
3.7
0
3
39.44
1
(5S,7R)-9-methoxy-3,5-dimethyl-8-oxo-6,7-dihydro-5H-benzo[f][1]benzofuran-7-carbaldehyde
272.29
2.8
0
4
56.51
2
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