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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-[(3S,5R,8R,9S,10S,13R,14S)-14-hydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
516.70
|
3.4
|
2
|
7
|
94.45
|
4
|
|
|
(4S)-4-hydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
|
168.23
|
1.1
|
1
|
2
|
37.3
|
1
|
|
|
Swainsonine N-oxide
|
189.21
|
-1.8
|
3
|
4
|
83.75
|
0
|
|
|
(7-Hydroxy-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta[5,6]naphtho[2,1-b]furan-7-yl)methyl hexadecanoate
|
554.80
|
11.2
|
1
|
4
|
59.67
|
17
|
|
|
2-[(E)-3-Phenylprop-2-enoxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
|
428.40
|
-2
|
6
|
10
|
158.3
|
7
|
|
|
Pterosupin
|
436.40
|
-0.6
|
8
|
10
|
188.14
|
6
|
|
|
2-Methylnonane
|
142.28
|
5.3
|
0
|
0
|
0
|
6
|
|
|
1-Decene
|
140.27
|
5.7
|
0
|
0
|
0
|
7
|
|
|
5-Methyl-4-hexanolide
|
128.17
|
1.6
|
0
|
2
|
26.3
|
1
|
|
|
Chikusetsusaponin Ia
|
755.00
|
3.5
|
8
|
12
|
198.76
|
9
|
|
|
2-Butoxy-2,5-bis(hydroxymethyl)-tetrahydrofurane-3,4-diol
|
236.26
|
-0.5
|
4
|
6
|
99.38
|
6
|
|
|
Butyl fructofuranoside
|
236.26
|
-0.5
|
4
|
6
|
99.38
|
6
|
|
|
n-Butyl |A-D-fructofuranoside
|
236.26
|
-0.5
|
4
|
6
|
99.38
|
6
|
|
|
Liconeolignan
|
354.40
|
5.1
|
2
|
5
|
72.06
|
5
|
|
|
Methylpyrrolidone
|
99.13
|
-0.5
|
0
|
1
|
20.31
|
0
|
|
|
(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3,12-triol
|
476.70
|
6.2
|
4
|
4
|
80.92
|
4
|
|
|
2-(hydroxymethyl)-6-[6-methyl-2-(2,3,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-5-en-2-yl]oxyoxane-3,4,5-triol
|
638.90
|
4.6
|
7
|
9
|
160.07
|
7
|
|
|
2-Ethylthiophene
|
112.19
|
2.9
|
0
|
1
|
28.24
|
1
|
|
|
2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-5-methoxy-3-(10-pentadecenyl)-, (Z)-
|
362.50
|
7
|
1
|
4
|
63.6
|
14
|
|
|
2-Butyl-3-methyl-Pyrazine
|
478.70
|
4.7
|
4
|
6
|
107.22
|
5
|
|
|
Michefucscalide
|
306.40
|
1.4
|
1
|
5
|
72.83
|
2
|
|
|
[(2R)-3-carboxy-2-(propanoylamino)propyl]-trimethylazanium
|
217.29
|
-0.4
|
2
|
3
|
66.4
|
6
|
|
|
[(2R)-2-(butanoylamino)-3-carboxypropyl]-trimethylazanium
|
231.31
|
0
|
2
|
3
|
66.4
|
7
|
|
|
3,3,5-Trimethylcyclohexanone
|
140.22
|
2.2
|
0
|
1
|
17.07
|
0
|
|
|
methyl (2E,4E,6E)-7-phenyl-2,4,6-heptatrienoate
|
214.26
|
3.9
|
0
|
2
|
26.3
|
5
|
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