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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanamide
|
197.19
|
-0.9
|
4
|
4
|
103.78
|
3
|
|
|
(2R)-2-hydroxy-2-(2-hydroxyethyl)cyclohexan-1-one
|
158.19
|
0.2
|
2
|
3
|
57.53
|
2
|
|
|
Taxamairin A
|
338.40
|
3.4
|
1
|
4
|
63.6
|
2
|
|
|
Taxamairin B
|
352.40
|
3.8
|
0
|
4
|
52.6
|
3
|
|
|
3-[(1R)-1,2-dihydroxyethyl]-4-methylpyrrole-2,5-dione
|
171.15
|
-1.3
|
3
|
4
|
86.63
|
2
|
|
|
Panaxydol chlorohydrin
|
296.80
|
4.8
|
2
|
2
|
40.46
|
10
|
|
|
Darienine
|
271.27
|
2
|
1
|
5
|
68.65
|
2
|
|
|
2-Acetyl-5-methylpyridine
|
135.16
|
1.2
|
0
|
2
|
29.96
|
1
|
|
|
2-Ethyl-3-methylnaphthalene
|
170.25
|
4.8
|
0
|
0
|
0
|
1
|
|
|
Eumaitenine
|
506.50
|
2.9
|
0
|
10
|
127.57
|
9
|
|
|
5,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
|
348.40
|
0.2
|
3
|
6
|
104.06
|
1
|
|
|
Gibberellin A60
|
348.40
|
0.2
|
3
|
6
|
104.06
|
1
|
|
|
23-O-Acetyl shengmanol xyloside
|
662.80
|
4.2
|
4
|
10
|
155.28
|
8
|
|
|
[1-[10,11-Dihydroxy-4,6,12,17,17-pentamethyl-18-(3,4,5-trihydroxyoxan-2-yl)oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]-2-hydroxy-2-methylpropyl] acetate
|
680.90
|
3.3
|
6
|
11
|
175.37
|
6
|
|
|
Teuflin
|
328.40
|
2.3
|
0
|
5
|
65.74
|
1
|
|
|
5,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
|
346.40
|
0.1
|
3
|
6
|
104.06
|
1
|
|
|
2H-Cyclohepta(b)furan-2-one, 6-(1-(acetyloxy)-3-hydroxybutyl)-3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-
|
308.40
|
1.8
|
1
|
5
|
72.83
|
5
|
|
|
alpha-Methylene-gamma-lactone, 3
|
308.40
|
1.8
|
1
|
5
|
72.83
|
5
|
|
|
(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
|
456.70
|
7.3
|
2
|
3
|
57.53
|
1
|
|
|
(4S)-1,1-dioxodithiolan-4-ol
|
154.21
|
-0.8
|
1
|
4
|
88.05
|
0
|
|
|
Methyl 15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
|
682.70
|
-0.9
|
6
|
16
|
245.04
|
8
|
|
|
erythro-1-(4-Hydroxyphenyl)propane-1,2,3-triol
|
184.19
|
-0.6
|
4
|
4
|
80.92
|
3
|
|
|
(1S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-ol
|
170.25
|
0.6
|
2
|
2
|
40.46
|
1
|
|
|
(4R,6R)-3,4,6-trihydroxy-2-methylcyclohex-2-en-1-one
|
158.15
|
-1
|
3
|
4
|
77.76
|
0
|
|
|
[(1S,5S,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]methanol
|
152.23
|
1.6
|
1
|
1
|
20.23
|
1
|
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