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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
(4bS,8aS,9S)-4,9-dihydroxy-1-methoxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
346.50
3.7
2
4
66.76
2
(4bR)-4-hydroxy-9-methoxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthren-3-one
328.40
4.6
1
3
46.53
2
[(3S,8S,9R,10R,12R,13R,14R,17S)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate
487.60
0.8
5
8
140.34
4
(1S,2R,6R,7R,10R,11S,16S,20S)-6-(furan-3-yl)-20-hydroxy-7,17,17-trimethyl-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosane-4,14,18-trione
470.50
1.4
1
8
112.27
1
[(1R,4E,9S)-11,11-dimethyl-8-methylidene-4-bicyclo[7.2.0]undec-4-enyl]methyl acetate
262.40
3.7
0
2
26.3
3
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-3-acetyloxy-6-(acetyloxymethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
778.70
0.2
6
19
272.73
19
[(1S,2S,5R,7S,10R,12R,14R,15R,16R,17S,18R,21R,22S,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacosan-14-yl] acetate
678.80
2.9
5
11
164.37
4
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
886.80
-3.3
13
23
367.04
10
Kauran-18-oic acid, 17-(I(2)-D-glucopyranosyloxy)-6,7,13,16-tetrahydroxy-, (4I+/-,6I(2),7I(2))-
546.60
-1.7
9
12
217.6
5
(3Z,4S)-3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
318.40
4.4
1
3
46.53
2
[(2S,3S,4R,4aS,4bR,7S,8aR,9R,10aS)-2,3,9-triacetyloxy-7-ethenyl-8a-hydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl] benzoate
612.70
3.4
1
11
159.57
10
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[(3S,4S,5R,6S)-4-hydroxy-6-[[(1S,2R,4S,5R,8R,9R,10S,13R,14R,17S,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1225.40
-2.9
16
27
425.21
14
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-2-methyl-4-[(1S,4R,5R,6S,7R,9S,11S,12S,15R,17S,20R)-4,6,11,16,16-pentamethyl-17-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-oxahexacyclo[10.9.0.01,20.04,11.05,9.015,20]henicosan-7-yl]but-2-enoxy]oxane-3,4,5-triol
781.00
3.8
8
13
207.99
9
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,11S,12S,14S,15R,16R)-15-[(1S)-1-[(2R,4S)-5,5-dimethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]ethyl]-14-hydroxy-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
799.00
2.8
9
14
228.22
8
(1S,5S,11S,12S,14R,16R,18S,20R,21R)-5-methyl-15-methylidene-10-oxa-7-azaheptacyclo[12.6.2.01,11.05,20.07,11.012,17.017,21]docosane-16,18-diol
357.50
1.7
2
4
52.93
0
methyl 2-[(1S,5S,6S,9R,10R,11S)-10-[(3S)-2,2-dimethyl-5-oxooxolan-3-yl]-5-(furan-3-yl)-6,10-dimethyl-13-methylidene-3-oxo-4,12-dioxatricyclo[7.3.1.01,6]tridecan-11-yl]acetate
486.60
2.6
0
8
101.27
5
Isorhamnetin 7-O-alpha-L-rhamnoside
462.40
1.2
6
11
179.28
4
(3Z,4aS,6R,7S,8S,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]dioxin-2-one
324.28
0.4
4
8
125.68
2
(3E,4aS,6R,7S,8S,8aR)-7,8-dihydroxy-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylidene]-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]dioxin-2-one
324.28
0.4
4
8
125.68
2
(2S,3R,4S,5S,6R)-2-(4,6-dihydroxyphenanthren-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
388.40
1.3
6
8
139.84
3
(1S,4S,5R,9S,10S,13R)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5,14-dicarboxylic acid
332.40
4.7
2
4
74.6
2
(1S,4S,5R,9S,10R,13R,14S)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarboxylic acid
334.40
4.8
2
4
74.6
2
(2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
584.90
10.6
2
3
57.53
11
(1R)-4-[(1Z,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
568.90
10.9
2
2
40.46
10
Acutumine
397.80
-0.4
1
7
85.3
3
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