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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3R,4S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
|
442.70
|
8.3
|
2
|
2
|
40.46
|
1
|
|
|
Multiflorenol acetate
|
468.80
|
9.7
|
0
|
2
|
26.3
|
2
|
|
|
Cimicifugoside H1
|
616.80
|
1.8
|
4
|
9
|
146.05
|
6
|
|
|
Cimicifugoside H-3
|
576.70
|
0.8
|
5
|
9
|
153.75
|
6
|
|
|
(1aS,2S,4aR,8aR)-2,4a,8,8-tetramethyl-1a,3,4,5,6,7-hexahydro-1H-cyclopropa[j]naphthalen-2-ol
|
222.37
|
4
|
1
|
1
|
20.23
|
0
|
|
|
1-[(1S,3aR,7aR)-1,5-dimethyl-1,2,3,6,7,7a-hexahydroinden-3a-yl]-2-methylpropan-1-one
|
220.35
|
3.8
|
0
|
1
|
17.07
|
2
|
|
|
(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3-methylfuran-2-yl)methyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
|
304.50
|
5.5
|
1
|
2
|
33.37
|
2
|
|
|
1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
|
224.38
|
4.6
|
1
|
1
|
20.23
|
0
|
|
|
(1R,2R,4aS,8aS)-1,2,5,5,8a-pentamethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
|
224.38
|
4.6
|
1
|
1
|
20.23
|
0
|
|
|
2-(3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl)but-3-en-2-ol
|
306.50
|
5
|
1
|
2
|
29.46
|
2
|
|
|
(2S)-2-[(2S,3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]but-3-en-2-ol
|
306.50
|
5
|
1
|
2
|
29.46
|
2
|
|
|
(8R,12R,13R)-8,12-Epoxylabd-14-en-13-ol
|
306.50
|
5
|
1
|
2
|
29.46
|
2
|
|
|
(4aS,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,9,10,10a-tetrahydro-2H-phenanthren-4-one
|
300.40
|
4.9
|
1
|
2
|
37.3
|
1
|
|
|
(3E,6S)-2,6-dimethylocta-3,7-diene-2,6-diol
|
170.25
|
1.1
|
2
|
2
|
40.46
|
4
|
|
|
5-Hydroxy-3',4',6,7-tetramethoxyflavone
|
358.30
|
3.3
|
1
|
7
|
87.36
|
5
|
|
|
2,5-Dimethyltetrahydrothiophene
|
116.23
|
2.2
|
0
|
1
|
25.3
|
0
|
|
|
Farnesylacetic acid
|
264.40
|
5.4
|
1
|
2
|
37.3
|
9
|
|
|
24-Methylenedammarenol
|
440.70
|
10.5
|
1
|
1
|
20.23
|
5
|
|
|
Taxisterone
|
464.60
|
1.4
|
5
|
6
|
118.22
|
5
|
|
|
(1S,2R,7S,9R,11S,12S,15R,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxyethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
|
456.60
|
4.3
|
1
|
5
|
76.13
|
3
|
|
|
(3beta,5alpha,8alpha,22e)-Ergosta-6,22-diene-3,5,8-triol
|
430.70
|
5.7
|
3
|
3
|
60.69
|
4
|
|
|
But-2-enylbenzene
|
132.20
|
3.5
|
0
|
0
|
0
|
2
|
|
|
2-Methyloctadecane
|
268.50
|
10.2
|
0
|
0
|
0
|
15
|
|
|
2-Methylheptadecane
|
254.50
|
9.7
|
0
|
0
|
0
|
14
|
|
|
(4-Hydroxyphenyl)acetaldehyde oxime
|
151.16
|
0.8
|
2
|
3
|
52.82
|
2
|
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