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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(3S,5R,10S,13R,14S,16S)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-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-16-yl] acetate
|
592.70
|
1.4
|
3
|
10
|
140.98
|
6
|
|
|
4-Ethoxyamphetamine
|
179.26
|
2.1
|
1
|
2
|
35.25
|
4
|
|
|
3-[(6-Deoxyhexopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide
|
566.60
|
-1.8
|
6
|
11
|
183.21
|
4
|
|
|
Azatoxin
|
380.40
|
2.9
|
2
|
5
|
84.02
|
3
|
|
|
7,2'-Dihydroxy-4'-methoxy-3-phenylcoumarin
|
284.26
|
2.8
|
2
|
5
|
79.9
|
2
|
|
|
7-Deoxycastanospermine
|
173.21
|
-1.3
|
3
|
4
|
63.93
|
0
|
|
|
Menthol
|
156.26
|
3
|
1
|
1
|
20.23
|
1
|
|
|
Beta-D-Xylopyranose
|
150.13
|
-2.5
|
4
|
5
|
90.15
|
0
|
|
|
methyl (Z)-octadec-8-enoate
|
296.50
|
7.6
|
0
|
2
|
26.3
|
16
|
|
|
1-(2,5-Dihydroxy-4-methoxyphenyl)ethanone
|
182.17
|
1.4
|
2
|
4
|
66.76
|
2
|
|
|
Hexan-3-yl acetate
|
144.21
|
2.3
|
0
|
2
|
26.3
|
5
|
|
|
[(1R,2R,5S,8R,9R,10R,11S,15R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate
|
390.50
|
1.8
|
2
|
6
|
93.06
|
2
|
|
|
2,3-Dimethylacrylic acid, (E)-
|
100.12
|
1
|
1
|
2
|
37.3
|
1
|
|
|
1,4-Dimethyl-2-(3-methylbenzyl)benzene
|
210.31
|
4.9
|
0
|
0
|
0
|
2
|
|
|
7-Hydroxyemodin
|
286.24
|
2.4
|
4
|
6
|
115.06
|
0
|
|
|
N-Norcodeine
|
285.34
|
0.7
|
2
|
4
|
50.72
|
1
|
|
|
Di-2-butyltrisulfid
|
210.40
|
4
|
0
|
3
|
75.9
|
6
|
|
|
Di-2-butyl tetrasulfide
|
242.50
|
4.4
|
0
|
4
|
101.2
|
7
|
|
|
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
6
|
|
|
Pyrrolizidine
|
111.18
|
1.3
|
0
|
1
|
3.24
|
0
|
|
|
Isothujanol
|
154.25
|
2.5
|
1
|
1
|
20.23
|
2
|
|
|
Rhynchotechol
|
314.29
|
3
|
2
|
6
|
93.06
|
2
|
|
|
Perillic acid
|
166.22
|
2.7
|
1
|
2
|
37.3
|
2
|
|
|
Erythromycin
|
733.90
|
2.7
|
5
|
14
|
193.91
|
7
|
|
|
2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone
|
336.40
|
4.8
|
2
|
4
|
66.76
|
3
|
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