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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
24-Isopropyl-cholest-5-en-3beta-ol
|
428.70
|
9.6
|
1
|
1
|
20.23
|
6
|
|
|
Bonducellin
|
282.29
|
3
|
1
|
4
|
55.76
|
2
|
|
|
(3E)-3-[(4-hydroxyphenyl)methylidene]-7-methoxychromen-4-one
|
282.29
|
3
|
1
|
4
|
55.76
|
2
|
|
|
13(18)-Oleanen-3-one
|
424.70
|
8.5
|
0
|
1
|
17.07
|
0
|
|
|
5,7-Dihydroxy-4'-methoxy-4-phenylcoumarin
|
284.26
|
2.3
|
2
|
5
|
79.9
|
2
|
|
|
Degalloyl theasinensin F
|
594.50
|
2.2
|
11
|
13
|
240.99
|
3
|
|
|
methyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
|
566.50
|
-3.8
|
8
|
16
|
251.36
|
10
|
|
|
2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethanol
|
319.40
|
3
|
1
|
4
|
41.93
|
5
|
|
|
(20R)-Ginsenoside Rh2
|
622.90
|
5.6
|
6
|
8
|
139.84
|
7
|
|
|
(3S,5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
426.70
|
9.9
|
1
|
1
|
20.23
|
3
|
|
|
1-[(2R)-6-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
|
234.25
|
1.9
|
2
|
4
|
66.76
|
3
|
|
|
CID 14081907
|
330.33
|
-1.9
|
5
|
8
|
128.84
|
4
|
|
|
8-Methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione
|
276.28
|
1.3
|
0
|
5
|
65.13
|
0
|
|
|
Deoxymikanolide
|
276.28
|
1.3
|
0
|
5
|
65.13
|
0
|
|
|
(3,8-Dimethyl-4,14-dioxo-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-en-12-yl) acetate
|
336.30
|
0.9
|
0
|
7
|
91.43
|
2
|
|
|
Canthin-2,6-dione
|
236.22
|
0.3
|
1
|
2
|
54.34
|
0
|
|
|
1-Isopropyl-7-methyl-4-methylene-1,3,4,5,6,8-hexahydro-2H-naphthalen-4a-ol
|
220.35
|
3
|
1
|
1
|
20.23
|
1
|
|
|
(1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol
|
220.35
|
3
|
1
|
1
|
20.23
|
1
|
|
|
1,4,9-Cadinatriene
|
202.33
|
3.8
|
0
|
0
|
0
|
1
|
|
|
3-[(3S)-3-hydroxybutyl]-2,4,4-trimethylcyclohex-2-en-1-one
|
210.31
|
2.1
|
1
|
2
|
37.3
|
3
|
|
|
6-Camphenone
|
150.22
|
1.5
|
0
|
1
|
17.07
|
0
|
|
|
1-(3-Hydroxypyridin-2-yl)ethanone
|
137.14
|
1.1
|
1
|
3
|
50.19
|
1
|
|
|
Phenylglyoxal
|
134.13
|
1.7
|
0
|
2
|
34.14
|
2
|
|
|
1-Methyl-2-propylbenzene
|
134.22
|
4.1
|
0
|
0
|
0
|
2
|
|
|
1-Methyl-3-propylbenzene
|
134.22
|
3.6
|
0
|
0
|
0
|
2
|
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