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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
(E)-5-[(1aR,3aS,4R,5S,7aR,7bS)-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-4-yl]-3-methylpent-2-enoic acid
320.50
5.1
1
3
49.83
4
(E)-5-[(1aS,3aR,4S,5R,7aS,7bR)-4,5,7a,7b-tetramethyl-2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxiren-4-yl]-3-methylpent-2-enoic acid
320.50
5.1
1
3
49.83
4
(E)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
320.50
4.9
2
3
57.53
5
(E)-5-[(1R,2S,4aR,8aS)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
320.50
4.9
2
3
57.53
5
Oxalicumone C
350.30
1.4
2
8
123.27
7
(3aS,5R,5aS,6R,8R,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
266.33
1.7
2
4
66.76
0
(2R)-2-[(4aR,8S,8aR)-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalen-2-yl]propanoic acid
250.33
3.4
1
3
54.37
2
(4aS,8aR)-4a,8-dimethyl-3,4,5,8a-tetrahydro-1H-naphthalene-2,6-dione
192.25
0.7
0
2
34.14
0
(2E,4E)-3-methylhexa-2,4-dienal
110.15
1.8
0
1
17.07
2
(3R)-2,3-dimethyl-4-(4-methylphenyl)cyclopentane-1-carbaldehyde
216.32
3.5
0
1
17.07
2
[(1R,5R,8R,10S,14S,16R,17S,18S)-7-(2-hydroxyethyl)-5-methyl-13-methylidene-6-oxo-9-oxa-7-azahexacyclo[8.6.2.211,14.01,8.05,17.011,16]icosan-18-yl] acetate
415.50
2.3
1
5
76.07
4
[(1S,2R,4S,5S,7R,8R,12S,13S,18R,20S,21R)-4-hydroxy-4,12-dimethyl-14,19-dioxa-17-azaheptacyclo[10.7.2.22,5.02,7.08,18.08,21.013,17]tricosan-20-yl] acetate
417.50
2.6
1
6
68.23
2
(3R,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
414.70
9.3
1
1
20.23
6
(3S,8S,9R,10R,13R,14R,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
414.70
9.3
1
1
20.23
6
(3S,8S,9S,10R,13R,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
414.70
9.3
1
1
20.23
6
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30R)-2,6,10,14,19,23,27,31-octamethyl-3,30-bis(3-methylbut-2-enyl)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,31-diol
705.10
16.3
2
2
40.46
20
1-Deoxy-l-erythritol
106.12
-1.3
3
3
60.69
2
5-Tricosenylresorcinol
430.70
12.9
2
2
40.46
21
5-Pentacosenylresorcinol
458.80
14
2
2
40.46
23
2-Mercapto-4-heptanol
148.27
1.9
2
2
59.03
4
(1S,2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
154.25
2.7
1
1
20.23
0
(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-OL
154.25
2.7
1
1
20.23
0
3-Methyl-5,7-dimethoxyphthalide
208.21
1.7
0
4
44.76
2
Isovaleronitrile
83.13
1.1
0
1
23.79
1
3-Methyl-2-benzyl-4-quinazolone
250.29
2.5
0
2
34.89
2
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