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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-O-vanillyceanothic acid
636.80
8.9
3
8
130.36
7
(R)-2-(((2R,3R)-4-((E)-3-((R)-1-Carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrobenzofuran-3-carbonyl)oxy)-3-(3,4-dihydroxyphenyl)propanoic acid
718.60
4
9
16
278.04
14
Smilaside B
736.70
0.1
7
18
266.66
17
bruguierins C
759.20
15
3
6
96.22
23
methyl (2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate
987.10
2.1
11
20
321.28
11
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
999.20
1.8
10
19
293.21
9
[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1091.20
-0.7
14
23
374.13
12
8H-1,3-Dioxolo[4,5-h][1]benzopyran-8-one, 4-hydroxy-
206.15
1.4
1
5
68.9
0
Angelicoin B
208.21
2.4
1
4
55.76
1
Angelicoin A
262.30
4
2
4
66.76
2
[(1R,2R,4Z,9Z,11S)-4,12,12-trimethyl-8-oxo-2-bicyclo[9.1.0]dodeca-4,9-dienyl] acetate
276.40
2.8
0
3
43.37
2
(E)-5-(4-hydroxy-3-methoxy-phenyl)-1-(1-piperidyl)pent-2-en-1-one
289.40
2.2
1
3
49.77
5
methyl (14Z,16Z)-octadeca-14,16-dienoate
294.50
7.3
0
2
26.3
15
(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(quinolin-4-yl)methanol
296.40
2.9
1
3
36.36
3
(1S,4S,6S,10R,14Z)-14-[(E)-4-hydroxy-4-methylpent-2-enylidene]-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradecan-13-one
332.40
2.3
1
4
59.06
2
Methyl 4-O-coumaroylquinate
352.30
0.3
4
8
133.52
6
14-Deoxy-17-hydroxyandrographolide
352.50
2.8
3
5
86.99
5
Deoxypseudopterolide
356.40
4.8
0
5
65.74
4
Gardaloside
358.34
-2.5
5
9
145.91
4
(2R,3R,4R)-4-(4-hydroxy-3-methoxy-phenyl)-2,3-bis(hydroxymethyl)-7-methoxy-tetralin-6-ol
360.40
2
4
6
99.38
5
(3R,4R)-3,4-bis[(4-hydroxy-3-methoxyphenyl)(113C)methyl](213C)oxolan-2-one
361.40
3.3
2
6
85.22
6
(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
370.40
4.2
4
6
107.22
6
(9R,10R,11R,14S,15S)-10-ethyl-14-methyl-3-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.04,16.011,15]hexadeca-1(16),2-dien-13-one
371.50
3.1
0
4
57.53
2
[(3S,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-(hydroxymethyl)oxolan-3-yl]-(4-methoxy-1,3-benzodioxol-5-yl)methanone
400.40
1.9
1
8
92.68
5
[(1S,8S,11R,12S,13R,17S,18S,19R)-12,13-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-17-yl] acetate
404.50
1.9
2
7
106.2
2
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