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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
Cerin acetate
484.80
9.8
0
3
43.37
2
[(2S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-3-oxo-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-2-yl] acetate
484.80
9.8
0
3
43.37
2
(4aS,6aS,6aS,6bR,8aR,12aR,14aR,14bS)-3-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-1H-picen-2-one
440.70
9.2
1
2
37.3
0
(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-3-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-2-one
442.70
9.1
1
2
37.3
0
(5S,8R,9R,10S,14S)-4,4,8,10,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthrene
410.70
10.3
0
0
0
4
[(3aS,6E,10Z,11aR)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
304.34
0.7
0
5
69.67
4
[(3aS,6Z,10Z,11aR)-6-formyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
304.34
0.7
0
5
69.67
4
[(3aS,6Z,10Z,11aR)-6-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
306.40
0.2
1
5
72.83
4
[(3aR,4S,6Z,10Z,11aR)-6-(acetyloxymethyl)-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
364.40
0.5
1
7
99.13
6
[(3aS,6Z,10Z,11aR)-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl acetate
306.40
0.2
1
5
72.83
4
[(3aS,6E,10Z,11aR)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
290.40
1.4
0
4
52.6
3
8alpha-Acetoxyarglabin
304.34
1.3
0
5
65.13
2
[(3aR,4S,9R,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] acetate
304.34
0.9
1
5
72.83
2
tatridin A
264.32
0.6
2
4
66.76
0
(3aS,5aS,7S,8aS,9aR)-7,8a-dihydroxy-1,5,8-trimethylidene-4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one
262.30
0.2
2
4
66.76
0
2-[(2R,4aS,8aR)-4a-methyl-8-methylidene-7-oxo-2,3,4,8a-tetrahydro-1H-naphthalen-2-yl]prop-2-enoic acid
246.30
3.2
1
3
54.37
2
9alpha-Hydroxyparthenolide
264.32
1.2
1
4
59.06
0
(3aS,6aR,9R,9aS,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
248.32
1.8
1
3
46.53
0
[5-(chloromethyl)-5,8a-dihydroxy-1,8-dimethylidene-2-oxo-4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-7-yl] acetate
356.80
0.4
2
6
93.06
3
[(3aR,4R,6E,9R,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
404.50
1.8
1
7
99.13
6
[(3aR,4R,6E,9S,10Z,11aR)-4-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate
306.40
1.3
1
5
72.83
2
Quinovic acid 3-O-(6-deoxy-beta-D-glucopyranoside) 28-O-beta-D-glucopyranosyl ester
795.00
3
8
14
232.9
7
1-[4,6-Dihydroxy-2-(3-methylbut-2-enoxy)-3-(3-methylbut-2-enyl)phenyl]ethanone
304.40
4.8
2
4
66.76
6
Hesperetin 3'-methyl ether
316.30
2.7
2
6
85.22
3
(4R,4aS,6aS,6aS,6bR,8aS,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
440.70
8
0
2
34.14
0
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