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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
3-[(3R,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
714.80
-1.2
9
15
245.29
8
(1S)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,2,2-trifluoroacetic acid
703.70
5
15
144.35
5
[(Z,11S,16S)-11,16,18-trihydroxyoctadec-9-en-12,14-diynyl] acetate
350.40
2.8
3
5
86.99
14
[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-7-(furan-3-carbonyloxy)-2-hydroxy-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate
590.60
1.1
2
13
181.17
11
1-O-methyl 2-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methyl] (1R,2S,3R,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
918.80
1.5
10
20
322.03
14
[(1R,2S,3S,4S,7S,8R,9R)-9-acetyloxy-3,12-bis(hydroxymethyl)spiro[10-oxatricyclo[6.4.0.02,4]dodec-11-ene-7,2'-oxirane]-3-yl]methyl (E)-3-phenylprop-2-enoate
470.50
1.3
2
8
114.82
9
(1S,4S,4aR,8R,11E,12aS)-1-(2-hydroxypropan-2-yl)-4,11-dimethyl-7-methylidene-2,3,4,4a,5,6,8,9,10,12a-decahydro-1H-benzo[10]annulen-8-ol
306.50
3.8
2
2
40.46
1
[(1S,3R,4S,5R,7S,8S,10R,12S,13S)-13-(furan-3-yl)-5,10-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] (2S)-2-methylbutanoate
586.70
3
2
9
132.5
8
(4R,5S)-4,5-dihydroxy-5-[(Z,2S)-2-hydroxyheptadec-12-enyl]cyclohex-2-en-1-one
380.60
5.7
3
4
77.76
15
(1S,3R,4S,8S,11R,12S)-3,12-dihydroxy-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-6-ene-5,13-dione
334.40
2
2
4
74.6
1
4-O-ethyl 1-O-methyl (E)-2-[(3S,4R)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]but-2-enedioate
424.40
1.2
3
11
165.89
9
(2S,3R,4S,5S,6R)-2-[2-[(E)-2-[(2R,3S)-3-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl]-4,6-dihydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
810.70
1.1
13
18
309.14
10
(5R,8R,9R,10R,13R,14R,17Z)-17-[(Z)-1,7-dihydroxy-6-methylhept-5-en-2-ylidene]-4,4,8,10,14-pentamethyl-2,5,6,7,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
456.70
6.5
2
3
57.53
5
3-O-[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-hydroxy-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 1-O-methyl propanedioate
572.80
5.3
2
7
110.13
10
1-O-methyl 2-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl] (1R,2S,3R,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
756.70
3.3
7
15
242.88
11
1-O-methyl 2-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methyl] (1R,2R,3R,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
918.80
1.5
10
20
322.03
14
(2S)-2-[1-[(1S,2S,5R,6R,9R,10R,13R,15S,19S)-15,19-dihydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]ethenyl]-5-methyl-2,3-dihydropyran-6-one
484.70
6.4
2
5
75.99
2
(3R)-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-ol
340.40
4.9
2
4
58.92
4
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-1,3a,10,13-tetraacetyloxy-11-benzoyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
761.80
5.3
0
14
187.76
14
(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
550.60
0.2
5
10
162.98
5
(6R)-6-hydroxy-5,5,6-trimethyl-3-oxocyclohexene-1-carboxylic acid
198.22
0.6
2
4
74.6
1
[(1S,3R,4E,6R,7S,8E,10R,11S)-7-acetyloxy-4-(acetyloxymethyl)-6-hydroxy-11-(hydroxymethyl)-8,11-dimethyl-3-bicyclo[8.1.0]undeca-4,8-dienyl] 3-phenylpropanoate
500.60
1.8
2
8
119.36
11
diethyl (E)-2-[(3S,4R)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]but-2-enedioate
438.40
1.5
3
11
165.89
10
3-[(3R,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4R,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
714.80
-1.2
9
15
245.29
8
[(1S,3R,4S,5R,7S,8S,10R,12S,13S)-13-(furan-3-yl)-5,10-dihydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2-oxatetracyclo[7.7.1.01,12.03,8]heptadecan-4-yl] (2R)-2-methylbutanoate
586.70
3
2
9
132.5
8
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