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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4-Ethoxybenzoic acid
|
166.17
|
2.4
|
1
|
3
|
46.53
|
3
|
|
|
(6R)-2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
|
168.23
|
2
|
1
|
2
|
37.3
|
1
|
|
|
(6S)-2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
|
168.23
|
2
|
1
|
2
|
37.3
|
1
|
|
|
(1s)-2-Oxo-3-p-menthenol
|
168.23
|
2
|
1
|
2
|
37.3
|
1
|
|
|
(3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-[(2S,3S,6S)-3,7-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
|
436.70
|
5.3
|
4
|
4
|
80.92
|
6
|
|
|
(3S,5S,8R,9S,10S,13R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
|
358.60
|
5.4
|
1
|
2
|
15.27
|
3
|
|
|
[(2R,3S,4R,5R,8S,9S,10R,13S,14S,17S)-4-acetyloxy-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-3-(3-methylbut-2-enoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate
|
544.80
|
6.4
|
1
|
6
|
84.94
|
8
|
|
|
(2S,4aS,7R,8aR)-7-(3-hydroxyprop-1-en-2-yl)-4a-methyl-1-methylidene-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
|
236.35
|
2.7
|
2
|
2
|
40.46
|
2
|
|
|
(inverted exclamation markA)-Emodin bianthrone
|
510.50
|
5.8
|
6
|
8
|
155.52
|
1
|
|
|
8-(1,1-Dimethylallyl)genistein
|
338.40
|
4.6
|
3
|
5
|
90.9
|
3
|
|
|
5,7-Dihydroxy-3-[8-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)chromen-6-yl]chromen-4-one
|
420.50
|
5.5
|
3
|
6
|
100.13
|
3
|
|
|
(8R)-8-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
490.60
|
7.2
|
3
|
6
|
96.22
|
5
|
|
|
(8S)-8-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
|
490.60
|
7.2
|
3
|
6
|
96.22
|
5
|
|
|
[(2S,3R,4S,5R)-2-[[(1S,4R,5R,6R,8R,10R,12S,13R,16R,18S,21R)-8-[(1S)-1-acetyloxy-2-hydroxy-2-methylpropyl]-4,6,12,17,17-pentamethyl-11-oxo-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-18-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate
|
704.90
|
4.7
|
3
|
11
|
158.05
|
8
|
|
|
[(2S,4aS,10aR)-6-methoxy-1,1,4a,7-tetramethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthren-2-yl] acetate
|
344.40
|
4.2
|
0
|
4
|
52.6
|
3
|
|
|
13-Methyl-8,11,13-podocarpatriene-3,12-diol
|
274.40
|
4.4
|
2
|
2
|
40.46
|
0
|
|
|
27-hydroxyheptacosyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
558.90
|
14
|
2
|
4
|
66.76
|
30
|
|
|
(1R,13S,15R,18R)-15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
|
301.34
|
1.3
|
1
|
5
|
51.16
|
1
|
|
|
methyl (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoate
|
332.50
|
5.1
|
0
|
3
|
43.37
|
5
|
|
|
2-Oxokolavenol
|
304.50
|
4.6
|
1
|
2
|
37.3
|
4
|
|
|
Daphnipaxinin
|
352.40
|
0.3
|
1
|
5
|
72.63
|
0
|
|
|
7-[(2S,3S)-2,3-dihydroxy-3-methyl-4-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]butoxy]-8-hydroxychromen-2-one
|
378.40
|
1.4
|
3
|
8
|
126.43
|
6
|
|
|
(10bR)-9-hydroxy-7,8-dimethoxyspiro[1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-2,4'-cyclohexa-2,5-diene]-1',3-dione
|
341.40
|
1.4
|
1
|
5
|
76.07
|
2
|
|
|
3-(4-hydroxy-3,5-dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
|
345.40
|
2.6
|
3
|
5
|
88.02
|
8
|
|
|
5-Methylfurfural
|
110.11
|
0.7
|
0
|
2
|
30.21
|
1
|
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