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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
Hymexelsin
486.40
-2.1
6
13
197.74
7
11-Hydroxy-sugiol
316.40
5.3
2
3
57.53
1
Oleuroside
540.50
0
6
13
201.67
12
Secologanoside
390.34
-1.9
6
11
183.21
7
Ligustroside
524.50
-0.1
5
12
181.44
11
Nimbin PP
572.60
0.5
1
11
151.73
8
24-Hydroxy-3-epi-ursolic acid
472.70
6.7
3
4
77.76
2
10-hydroxy-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
472.70
6.7
3
4
77.76
2
23-Hydroxyursolic Acid
472.70
6.7
3
4
77.76
2
Methyl 4a,5,7-trihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
422.40
-3.1
7
12
195.6
5
6beta-Hydroxyipolamiide
422.40
-3.1
7
12
195.6
5
[(3aR,4R,5S,5aS,6S,8R,8aS,9R,9aS)-4,8,9-trihydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl] (Z)-2-methylbut-2-enoate
380.40
1.5
3
7
113.29
3
[(1S)-1-[(3aR,6S,7R,8aR)-5,7-dimethyl-3-methylidene-2-oxo-6,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-hydroxypropyl] acetate
308.40
2
1
5
72.83
5
(2S,3R)-3-methyl-2-(3-oxobutyl)-6-propan-2-ylidenecyclohexan-1-one
222.32
2.8
0
2
34.14
3
Jewenol A
338.50
2.1
4
4
80.92
7
(Z)-2-[2-[(1S,2R,4aR,9aR)-4a-hydroxy-6-(hydroxymethyl)-1,2-dimethyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulen-1-yl]ethyl]but-2-ene-1,4-diol
338.50
1.8
4
4
80.92
6
(1R,2R,4aS,5S,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
238.37
2.6
2
2
40.46
1
rac-Cubebin
356.40
3.4
1
6
66.38
4
(2S,3S,4S)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
356.40
3.4
1
6
66.38
4
3',4'-Dimethoxy-3',4'-desmethylenecubebin
372.40
3.5
1
6
66.38
6
(E)-5-[(1R,4S,4aR,8aS)-4-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
320.50
5.1
2
3
57.53
4
Dihydrokolavenol
292.50
6.3
1
1
20.23
5
Dihydrokolavenol acetate
334.50
6.9
0
2
26.3
7
(4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl) acetate
466.70
9.2
0
2
26.3
2
[(3S,4aR,6aR,6bS,8aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl] acetate
466.70
9.2
0
2
26.3
2
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