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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Avenanthramide K
|
315.28
|
2.1
|
5
|
6
|
127.09
|
4
|
|
|
[(7S)-7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
|
315.36
|
-1
|
3
|
6
|
110.05
|
6
|
|
|
3,5,7-Trihydroxy-2-(4-hydroxy-2-methoxyphenyl)chromen-4-one
|
316.26
|
1.9
|
4
|
7
|
120.36
|
2
|
|
|
(1S,4S,12S,13R,16S,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
|
316.40
|
3.3
|
2
|
3
|
53.6
|
1
|
|
|
5-Thia-8,11,14,17-eicosatetraenoic acid
|
322.50
|
5.3
|
1
|
3
|
62.6
|
14
|
|
|
Naamine A
|
323.40
|
3.2
|
2
|
4
|
73.3
|
5
|
|
|
Chamissonolide
|
324.40
|
1.3
|
2
|
6
|
93.06
|
2
|
|
|
2-[4-Hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol
|
324.40
|
5.2
|
2
|
4
|
62.83
|
4
|
|
|
(-)-Spectaline
|
325.50
|
5.2
|
2
|
3
|
49.33
|
13
|
|
|
Roccellaric acid
|
326.50
|
6.7
|
1
|
4
|
63.6
|
13
|
|
|
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-3-(2,3,4-trimethoxyphenyl)-, (3S)-
|
330.30
|
2.6
|
1
|
6
|
74.22
|
4
|
|
|
Colutequinone B
|
330.30
|
2.1
|
0
|
6
|
71.06
|
4
|
|
|
(7S,8aS)-5-[[(4S,6S,8R,9aS)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-7-methyl-1,2,3,4,6,7,8,8a-octahydroquinoline
|
330.50
|
4.2
|
1
|
2
|
15.27
|
2
|
|
|
3,3,6-Trimethylhepta-1,5-dien-4-ol
|
154.25
|
3.1
|
1
|
1
|
20.23
|
3
|
|
|
[(1R,2S,4S,8R,9R)-9-acetyloxy-3,3-dimethyl-7-methylidene-10-oxatricyclo[6.4.0.02,4]dodec-11-en-12-yl]methyl acetate
|
334.40
|
2.5
|
0
|
5
|
61.83
|
5
|
|
|
2-[3-(Hydroxymethyl)phenoxy]-3-[2-(4-hydroxyphenyl)ethyl]phenol
|
336.40
|
4.1
|
3
|
4
|
69.92
|
6
|
|
|
2-(1,3-Benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
|
340.40
|
3.8
|
0
|
5
|
53.99
|
4
|
|
|
1-[(1S,3R,6R,9S,10S)-3,9-dihydroxy-6,10-dimethyl-2-methylidene-12-oxatricyclo[7.2.1.01,6]dodecan-10-yl]-4-methylpentan-3-one
|
336.50
|
2.1
|
2
|
4
|
66.76
|
4
|
|
|
Carbazoquinocin F
|
337.50
|
5.9
|
1
|
2
|
49.93
|
7
|
|
|
Hydantoic acid
|
118.09
|
-1.4
|
3
|
3
|
92.42
|
2
|
|
|
Alkannin-beta-hydroxyisovalerate
|
388.40
|
3.4
|
3
|
7
|
121.13
|
7
|
|
|
5,6-Dihydroxy-7,3',4'-Trimethoxyflavone
|
344.30
|
2.9
|
2
|
7
|
98.36
|
4
|
|
|
(4aR,5aS,8aS,13aR,15aS,15bR)-6-oxido-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
|
350.40
|
1.4
|
0
|
3
|
52.6
|
0
|
|
|
Glicophenone
|
358.40
|
4.2
|
4
|
6
|
107.22
|
6
|
|
|
Latinone
|
360.40
|
4.1
|
1
|
5
|
72.83
|
3
|
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