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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-Vinylpyridine
|
105.14
|
1.4
|
0
|
1
|
12.89
|
1
|
|
|
2-Pyridinecarboxaldehyde
|
107.11
|
0.4
|
0
|
2
|
29.96
|
1
|
|
|
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
|
315.40
|
3.5
|
1
|
4
|
49.77
|
5
|
|
|
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
315.40
|
3.5
|
1
|
4
|
49.77
|
5
|
|
|
5alpha9alphaDihydroxymatrine
|
280.36
|
-0.5
|
2
|
4
|
64.01
|
0
|
|
|
erythro-Guaiacylglycerol beta-coniferyl ether
|
376.40
|
1.5
|
4
|
7
|
108.61
|
9
|
|
|
threo-Guaiacylglycerol beta-coniferyl ether
|
376.40
|
1.5
|
4
|
7
|
108.61
|
9
|
|
|
Balaphonin
|
356.40
|
2
|
2
|
6
|
85.22
|
6
|
|
|
(2E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
|
372.40
|
2.1
|
3
|
7
|
105.45
|
6
|
|
|
5-Hydroxy-2-methylpyridine
|
109.13
|
0.8
|
1
|
2
|
33.12
|
0
|
|
|
2-Methylheptacosane
|
394.80
|
15.1
|
0
|
0
|
0
|
24
|
|
|
9-Methyloctacosane
|
408.80
|
15.6
|
0
|
0
|
0
|
25
|
|
|
7,8-Dimethoxycoumarin
|
206.19
|
1.9
|
0
|
4
|
48.67
|
2
|
|
|
Eicos-11-enoic acid
|
310.50
|
7.6
|
1
|
2
|
37.3
|
17
|
|
|
7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
|
580.50
|
-0.7
|
9
|
15
|
249.2
|
7
|
|
|
7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
|
580.50
|
-0.7
|
9
|
15
|
249.2
|
7
|
|
|
[(3S,5S,8S,9R,10S,12R,13R,14R,17S)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate
|
488.60
|
2.3
|
5
|
7
|
127.45
|
4
|
|
|
4-Acetylpyridine
|
121.14
|
0.5
|
0
|
2
|
29.96
|
1
|
|
|
2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
|
356.30
|
2.2
|
2
|
7
|
98.36
|
3
|
|
|
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
|
386.40
|
2.1
|
2
|
8
|
107.59
|
4
|
|
|
2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
|
386.40
|
2.1
|
2
|
8
|
107.59
|
4
|
|
|
Heptazoline
|
295.30
|
4.6
|
3
|
3
|
73.32
|
3
|
|
|
10-hydroxy-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde
|
295.30
|
3.5
|
2
|
3
|
62.32
|
1
|
|
|
1-Methoxy-2-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carbaldehyde
|
293.40
|
4.7
|
1
|
2
|
42.09
|
4
|
|
|
3,11-Dihydro-10-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazole
|
293.40
|
4.6
|
1
|
2
|
34.25
|
1
|
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