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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
(1R,4aS,8aS)-2-formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
250.33
3.3
1
3
54.37
2
(1R,3aR,5aS,9aS,9bR,11aR)-6,6,9a,11a-tetramethyl-2,3a,5,5a,7,8,9,9b,10,11-decahydro-1H-naphtho[1,2-g][1]benzofuran-1-ol
304.50
4.4
1
2
29.46
0
[(E)-2-[[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate
458.50
1.3
2
8
119.36
8
(E)-1-[(2S,3S)-4-methylidene-5-oxo-3-(3-oxobutyl)oxolan-2-yl]hex-3-ene-2,5-dione
278.30
0.2
0
5
77.51
7
(1S,2R,4S)-1-(hydroxymethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
170.25
2.1
2
2
40.46
1
[(1S,2R,3R,8R,11R,12R,15S,16R)-2,7,7,11,12-pentamethyl-15-[(2S)-2-methyl-5-oxooxolan-2-yl]-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadecan-3-yl] acetate
488.70
5.8
0
6
78.9
3
(1S,4R,5S,8R,9R,11S,12S,13R,14R,16R,18S)-5,11-dihydroxy-13-(hydroxymethyl)-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-10-one
488.50
-0.1
3
9
135.66
2
[(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
344.40
1.7
1
5
72.83
4
(3aR,4R,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-2-one
246.30
1.1
1
3
46.53
0
(1R,8S,11R)-1,11-dihydroxy-8-methyl-11-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-4(12),6-dien-5-one
264.32
0.5
2
4
66.76
1
(1R,2S,5R,6S,9R,10S)-5-methyl-2-propan-2-yl-11-oxatricyclo[7.2.1.01,6]dodecane-5,9,10-triol
270.36
1.2
3
4
69.92
1
3-O-galloyl gallic acid methyl ester
336.25
1.4
5
9
153.75
5
3-O-Caffeoylshikimic acid
336.29
0.2
5
8
144.52
5
Mesoxalic acid
118.04
0.7
2
5
91.67
2
(3S,3aR,4S,6aR,8S,9R,9aS,9bS)-4,8,9-trihydroxy-9-(hydroxymethyl)-3-methyl-6-methylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
298.33
-0.5
4
6
107.22
1
(1S,4R,5R,6R,7S,11R,13S,14R,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecan-9-one
382.40
0.1
4
7
116.45
0
(1S,4R,5R,7S,11S,12R,13S,17S,18S,19R)-4,5,12,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
392.40
-2.1
4
8
133.52
0
(1R,5R,9R,10S,14R,15S,17S)-5-hydroxy-15-(hydroxymethyl)-2,9,17-trimethyl-6,13-dioxapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-2,7(16)-diene-4,8,12-trione
374.40
-0.2
2
7
110.13
1
(1R,2S,3S,7S,9R,13S,14R,15R,16R,17S)-3,15,16-trihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
380.40
-0.6
4
7
124.29
1
(3aS,6E,10Z,11aR)-6-(hydroxymethyl)-10-methyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
248.32
0.8
1
3
46.53
1
Spirobroussonin A
272.29
2.5
2
4
66.76
1
[(3aR,4R,6aS,9S,9aS,9bS)-6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate
348.40
1.3
2
6
93.06
3
(2S)-2',4'-dihydroxy-7-methoxy-8-prenylflavan
340.40
5
2
4
58.92
4
[(1S,2R,3S,4R,6Z,10S)-2-hydroxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] (E)-3-phenylprop-2-enoate
384.50
4.6
1
4
59.06
5
[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
578.50
2.6
6
12
196.35
8
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