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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
(4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-octanoyloxy-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
596.90
10
1
5
80.67
9
9-Methoxy-7-(2,3,6-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
386.40
2.9
0
8
85.59
5
(5R,6S,7aS,8R,8aR)-8-acetyl-5,7a-dihydroxy-6-methoxy-3,5-dimethyl-6,7,8,8a-tetrahydrocyclopenta[f][1]benzofuran-2-one
308.33
-1.1
2
6
93.06
2
3-Deoxy-11,13-dihydroisosecotanapartholide
264.32
0.7
0
4
60.44
4
(4S,5S)-5-[(3S,4R)-4-chloro-3-hydroxy-2-methyl-5-oxocyclopenten-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
312.74
0.2
1
5
80.67
4
4-((1R,4S)-4-(5-hydroxypent-1-en-2-yl)-2,2-dimethylcyclobutyl)butan-2-one
238.37
3.1
1
2
37.3
7
7-[(E)-3-methyl-4-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]but-2-enoxy]chromen-2-one
328.40
3.9
0
5
65.74
5
7-[[(2R,3S)-3-methyl-3-[[(2S)-4-methylidene-5-oxooxolan-2-yl]methyl]oxiran-2-yl]methoxy]chromen-2-one
342.30
2.8
0
6
78.27
5
7-[(2S,3S)-2,3-dihydroxy-3-methyl-4-[(2R)-4-methylidene-5-oxooxolan-2-yl]butoxy]-8-hydroxychromen-2-one
376.40
1.4
3
8
126.43
6
(5R,6S,7aR,8R,8aR)-8-acetyl-5,7a-dihydroxy-6-methoxy-3,5-dimethyl-6,7,8,8a-tetrahydrocyclopenta[f][1]benzofuran-2-one
308.33
-1.1
2
6
93.06
2
(2R,3R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
320.29
0.3
5
7
119.61
2
b-Cryptoxanthin palmitate
791.30
20.2
0
2
26.3
26
[(1S,2S,6S,7S,9R,11R,13R,14S,16S,17R)-11,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-3,15-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-14-yl] acetate
436.50
1.6
2
8
119.36
3
[(1S,2S,6S,7S,9R,13R,14S,15R,16S,17R)-15-acetyloxy-14-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate
478.50
1.9
1
9
125.43
5
(1S,2S,6S,7S,9R,13R,14S,16S,17R)-14,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11,15-trione
392.40
1.2
2
7
110.13
1
[(1S,2S,6S,7S,9R,13R,14S,16S,17R)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,11,15-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-14-yl] acetate
434.50
1.8
1
8
116.2
3
[(1S,2S,6S,7S,9R,11R,13R,14S,15R,16S,17R)-14-acetyloxy-11,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-15-yl] acetate
480.50
1.8
2
9
128.59
5
5,2'-Dihydroxy-7,8-dimethoxyflavanone
316.30
2.7
2
6
85.22
3
4-Diphosphocytidyl-2-C-methyl-D-erythritol (CDP-ME)
521.31
-5.7
8
14
293.2
11
3-Ethyltoluene
120.19
3.6
0
0
0
1
2-Hydroxysuccinic Acid Methyl Ester
148.11
-1
2
5
83.83
4
3-(4-hydroxybutyl)-4,5-dihydro-3H-2-benzofuran-1-one
208.25
1.3
1
3
46.53
4
3-Ethylphenol
122.16
2.4
1
1
20.23
1
1-(2-Hydroxy-3-methoxy-5-prop-2-enylphenyl)ethanone
206.24
2.8
1
3
46.53
4
3-Methylbenzaldehyde
120.15
2
0
1
17.07
1
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