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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-Acetylthiophene
|
126.18
|
1.2
|
0
|
2
|
45.31
|
1
|
|
|
5-Indanol
|
134.17
|
2.4
|
1
|
1
|
20.23
|
0
|
|
|
7(14)-Isodaucen-10-one
|
220.35
|
3.6
|
0
|
1
|
17.07
|
1
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3S,5S,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
682.80
|
3.4
|
5
|
11
|
172.21
|
8
|
|
|
15Beta-Hydroxycalotropin
|
548.60
|
0
|
4
|
10
|
151.98
|
2
|
|
|
o-Phosphohomoserine
|
199.10
|
-5.5
|
4
|
7
|
139.89
|
5
|
|
|
2-(2-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
416.40
|
0.7
|
5
|
9
|
149.82
|
4
|
|
|
Avicennol
|
342.40
|
3.2
|
1
|
5
|
68.9
|
3
|
|
|
cis-Avicennol
|
342.40
|
3.2
|
1
|
5
|
68.9
|
3
|
|
|
6-[(E)-3-ethoxy-3-methylbut-1-enyl]-5-methoxy-2,2-dimethylpyrano[2,3-h]chromen-8-one
|
370.40
|
4.1
|
0
|
5
|
57.9
|
5
|
|
|
5-methoxy-6-[(Z)-3-methoxy-3-methylbut-1-enyl]-2,2-dimethylpyrano[2,3-h]chromen-8-one
|
356.40
|
3.7
|
0
|
5
|
57.9
|
4
|
|
|
5xi-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone
|
344.40
|
2.7
|
3
|
5
|
86.99
|
9
|
|
|
5-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-one
|
404.50
|
2.7
|
3
|
7
|
105.45
|
11
|
|
|
5'-Methoxyhexahydrocurcumin
|
404.50
|
2.7
|
3
|
7
|
105.45
|
11
|
|
|
(E)-7-(3,4-dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
|
342.40
|
3.4
|
3
|
5
|
86.99
|
8
|
|
|
[5-Acetyloxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-yl] acetate
|
446.50
|
4
|
3
|
8
|
122.52
|
13
|
|
|
1,7-Bis(3,4-dihydroxyphenyl)heptane-3,5-diyl diacetate
|
432.50
|
3.7
|
4
|
8
|
133.52
|
12
|
|
|
[2-acetyloxy-4-[(3S,5S)-3,5-diacetyloxy-7-(3,4-diacetyloxyphenyl)heptyl]phenyl] acetate
|
600.60
|
4.1
|
0
|
12
|
157.8
|
20
|
|
|
1,3-Dimethoxy-2-hydroxy-9,10-anthraquinone
|
284.26
|
2.5
|
1
|
5
|
72.83
|
2
|
|
|
2,6-Dihydroxy-1,3-dimethoxyanthracene-9,10-dione
|
300.26
|
2.1
|
2
|
6
|
93.06
|
2
|
|
|
(1S,2R,3R,4S,7S)-8,8-dimethyl-2-(3-oxoprop-1-en-2-yl)spiro[bicyclo[5.1.0]octane-4,2'-oxirane]-3-carbaldehyde
|
248.32
|
1.3
|
0
|
3
|
46.67
|
3
|
|
|
N-Formylbenzamide
|
149.15
|
1
|
1
|
2
|
46.17
|
1
|
|
|
3-O-Acetyloleanolic acid
|
498.70
|
8.1
|
1
|
4
|
63.6
|
3
|
|
|
4-Hydroxybenzoylcholine
|
224.28
|
2.2
|
1
|
3
|
46.53
|
5
|
|
|
9H-Furo[3,2-h][2]benzopyran-9-one, 2,3,6,7-tetrahydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-methyl-, (2S,7S)-
|
292.33
|
2.2
|
1
|
5
|
64.99
|
2
|
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