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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Olean-12-ene-3,11-dione
|
438.70
|
7.8
|
0
|
2
|
34.14
|
0
|
|
|
[(4bS,8aS)-4b,8,8-trimethyl-10-oxo-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-yl] acetate
|
342.50
|
5.7
|
0
|
3
|
43.37
|
3
|
|
|
(1R,2S,6S,9S,10R,11S,12S,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-12,17,20-triol
|
431.70
|
4.2
|
3
|
4
|
63.93
|
0
|
|
|
Bisacurone
|
252.35
|
1.9
|
2
|
3
|
57.53
|
4
|
|
|
Bisacurone A
|
252.35
|
1.9
|
2
|
3
|
57.53
|
4
|
|
|
Bisacurone C
|
252.35
|
1.9
|
2
|
3
|
57.53
|
4
|
|
|
Bisacurone B
|
252.35
|
1.9
|
2
|
3
|
57.53
|
4
|
|
|
Bisacurol
|
220.35
|
4.1
|
1
|
1
|
20.23
|
4
|
|
|
(4R,6S)-2-methyl-6-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-2-en-4-ol
|
220.35
|
4.1
|
1
|
1
|
20.23
|
4
|
|
|
Cyclohexyl isothiocyanate
|
141.24
|
3.4
|
0
|
2
|
44.45
|
1
|
|
|
Tetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyl-, (1alpha,2alpha,4alpha,5beta,7beta,8alpha)-
|
204.35
|
4.4
|
0
|
0
|
0
|
0
|
|
|
12-Octadecenoic acid, 9-oxo-, (12Z)-
|
296.40
|
5
|
1
|
3
|
54.37
|
15
|
|
|
3,5-Dimethyl-2-cyclohexen-1-one
|
124.18
|
1.2
|
0
|
1
|
17.07
|
0
|
|
|
2-Phenylpropan-1-ol
|
136.19
|
2.4
|
1
|
1
|
20.23
|
2
|
|
|
2,3,5,6-Tetramethylpyrazine
|
136.19
|
1.3
|
0
|
2
|
25.78
|
0
|
|
|
17-(5-ethyl-6-methylhept-6-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.70
|
10.1
|
1
|
1
|
20.23
|
6
|
|
|
Cyclohexane, 1-methyl-4-(1-methylethenyl)-, cis-
|
138.25
|
4.5
|
0
|
0
|
0
|
1
|
|
|
2-(3,4-Dihydroxyphenyl)-3-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
|
756.70
|
-2.4
|
12
|
20
|
328.35
|
8
|
|
|
Methyl 4-acetyloxy-3,5-dimethoxybenzoate
|
254.24
|
1.5
|
0
|
6
|
71.06
|
6
|
|
|
Cyclopentene, 1-(2-methylpropyl)-
|
124.22
|
3.1
|
0
|
0
|
0
|
2
|
|
|
Thioacrolein
|
72.13
|
0.9
|
0
|
1
|
32.09
|
1
|
|
|
3,5,8-Trihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
464.40
|
0.4
|
8
|
12
|
210.51
|
4
|
|
|
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
478.40
|
0.7
|
7
|
12
|
199.51
|
5
|
|
|
3-beta-d-Glucopyranosyloxy-4',5,7-trihydroxy-8-methoxyflavone
|
478.40
|
0.7
|
7
|
12
|
199.51
|
5
|
|
|
[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
|
507.18
|
-5.7
|
7
|
17
|
308.56
|
8
|
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