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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
[(3aS,4R,5R,6E,10E,11aR)-4-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] (Z)-2-methylbut-2-enoate
388.50
3.1
0
6
78.9
5
[(3aR,4R,5R,9R,9aS,9bS)-4,9-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
360.40
1
2
6
93.06
3
[(3aS,4R,5R,9S,9aS,9bS)-4-acetyloxy-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-5-yl] (Z)-2-methylbut-2-enoate
402.40
1.5
1
7
99.13
5
[(1S,2S,6S,7R,8R,11R,13R,14S)-7-acetyloxy-14-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradec-9-en-8-yl] (Z)-2-methylbut-2-enoate
418.40
0.5
1
8
111.66
5
[(1S,2S,6S,7R,8R,11R,13R,14S)-8-acetyloxy-14-hydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradec-9-en-7-yl] (Z)-2-methylbut-2-enoate
418.40
0.5
1
8
111.66
5
5-Acetyl-6-methoxy-2-propan-2-ylidene-1-benzofuran-3-one
246.26
2.6
0
4
52.6
2
(1S,2S,4S,5S)-5-ethenyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
238.37
3.8
2
2
40.46
3
[(1S,2S,4S,5S)-5-ethenyl-2-(2-hydroxypropan-2-yl)-5-methyl-4-prop-1-en-2-ylcyclohexyl] acetate
280.40
3.8
1
3
46.53
5
1-[(1R,3aS,4S,7R,7aR)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
238.37
2.6
1
2
37.3
2
8alpha-Hydroxylabda-13(16),14-dien-19-yl p-hydroxycinnamate
452.60
7.4
2
4
66.76
9
(1R,2R,4aR,5S,8aR)-2-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
320.50
3.7
2
3
57.53
5
5-[(1R,4aalpha)-Decahydro-2alpha-hydroxy-2,5,5,8abeta-tetramethylnaphthalen-1beta-yl]-3-methyl-2-pentenal
306.50
5.2
1
2
37.3
4
(Z)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal
306.50
5.2
1
2
37.3
4
(1R,2S,4aR,4bS,7S,10aR)-7-ethenyl-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-2-ol
304.50
4.6
2
2
40.46
2
(S)-2-Methylbutyl acetate
130.18
2.1
0
2
26.3
4
CID 14139388
272.40
4.2
1
2
29.46
0
Przewalskin
272.40
4.2
1
2
29.46
0
17-Oxolupanine
262.35
0.8
0
2
40.62
0
Calotropenol acetate
468.80
9.8
0
2
26.3
2
N-methyisopiline
311.40
3.1
1
4
41.93
2
Hept-6-en-2-one, 5-methyl
126.20
1.7
0
1
17.07
4
(2R,3S)-2-ethyl-1,1,3-trimethylcyclohexane
154.29
4.9
0
0
0
1
Dichlofluanid
333.20
3.6
0
6
74.3
5
2,6-Bis[(4-hydroxyphenyl)methyl]-3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenol
470.60
6.9
3
5
79.15
9
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-1-yl] propanoate
197.27
2
0
3
29.54
3
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