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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
(1S,13Z,17S,19S)-6,9-dihydroxy-5-methoxy-16-oxa-24-azapentacyclo[15.7.1.18,12.02,7.019,24]hexacosa-2(7),3,5,8,10,12(26),13-heptaen-15-one
421.50
4.3
2
6
79.23
1
[(1S,4R,5R,9R,10R,13R)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
434.60
8.4
1
3
46.53
5
[(1S,4R,5R,9R,10R,13R)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
434.60
8.4
1
3
46.53
5
[(1S,4R,5R,9S,10R,11S,13S)-11-hydroxy-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
450.60
7.1
2
4
66.76
5
[(1S,4aS,7S,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl] (1aR,4aR,8aS)-4a,8,8-trimethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene-2-carboxylate
456.70
7.8
1
3
46.53
4
[(1S,4R,5R,9S,10R,11S,13S)-11-hydroxy-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
450.60
7.1
2
4
66.76
5
(E,4S)-3,7-dimethyloct-2-ene-1,4,7-triol
188.26
0.5
3
3
60.69
5
(2E,4S,6E)-3,7-dimethylocta-2,6-diene-1,4,8-triol
186.25
0.5
3
3
60.69
5
[(1R,2R,3R,5R,6S,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,9-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate
480.50
-1
5
11
164.37
7
(2R,3R,4S,5S,6R)-2-[(2E,4R)-4-hydroxy-3,7-dimethylocta-2,6-dienoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
464.50
-1.9
7
11
178.53
9
5-[6-[2-(3,4-Dihydroxyphenyl)ethyl]-4-hydroxyoxan-2-yl]-3-methoxybenzene-1,2-diol
376.40
2.4
5
7
119.61
5
2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,13R,14bS)-10,11,13-trihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
710.80
1.6
8
13
223.67
7
2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
724.90
2.1
7
13
212.67
8
(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aS,13R,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-13-methoxy-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
562.70
3.9
4
8
133.52
5
(1S,4S,7S,8S,9S,11S,13S,14S,23R,24R,25S,26R,27S,29S,30S,31S,32R,34R,36R,37S,39R,40R,43R,44R,48S,55S,56R,58S,59R)-7,8,18,24,25,26,30,31,37,59-decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
1379.50
-2.5
16
31
485.65
5
(1R,3S,6S)-6-[(1E,3Z)-4-[(3R,8S,9R)-8-[(2E,4E,6E,8E,10E,12E)-13-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-7,11-dimethyltrideca-2,4,6,8,10,12-hexaen-2-yl]-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,8,9,10-tetrahydro-1H-pyrano[3,2-f]chromen-9-yl]-3-methylbuta-1,3-dienyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
1013.60
20.1
2
5
71.45
22
CID 101864655
1029.60
18.5
3
6
91.68
21
(1R,3S,6S)-6-[(1E,3Z,5E,7E,9E,11E)-12-[(3R,8S,9R)-9-[(1E,3E)-4-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-2-methylbuta-1,3-dienyl]-3,5,6-trimethyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]-2,8,9,10-tetrahydro-1H-pyrano[3,2-f]chromen-8-yl]-3,7-dimethyltrideca-1,3,5,7,9,11-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
1029.60
19.5
2
6
83.98
22
[(1S,2R,3S,7S,8R,10R,11R,15S,16S,17S)-3,17-diacetyloxy-15-(furan-3-yl)-10-(2-hydroxy-3-methylbutanoyl)oxy-2,7,16-trimethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-7-yl]methyl 2,3-dihydroxy-3-methylpentanoate
760.90
3.7
3
14
205.33
15
(4aS,5R,9aS)-2-(hydroxymethyl)-5,9,9-trimethyl-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulen-5-ol
238.37
2.2
2
2
40.46
1
(4aR,9R,9aR)-6-(hydroxymethyl)-4,4,9a-trimethyl-2,3,4a,7,8,9-hexahydro-1H-benzo[7]annulen-9-ol
238.37
2.6
2
2
40.46
1
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
562.50
2.9
6
11
187.12
7
(2S)-2-methyl-4-[9-[(2S,5R)-5-[(1R,4R,5R,8R,9R)-1,4,5,8,9-pentahydroxynonadecyl]oxolan-2-yl]nonyl]-2H-furan-5-one
640.90
8.7
5
8
136.68
28
(2S)-4-[2-hydroxy-9-[(2S,5R)-5-[(1R,6R,7R)-1,6,7-trihydroxynonadecyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
624.90
9.5
4
7
116.45
28
Cyanidin 3-triglucoside
773.70
14
20
349.9
10
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