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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cycloclausenamide
|
279.30
|
2.5
|
0
|
2
|
29.54
|
2
|
|
|
2-Cyclohexen-1-one
|
96.13
|
0.6
|
0
|
1
|
17.07
|
0
|
|
|
4-[2-[(1-Carboxy-4-hydroxybutyl)amino]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
|
326.30
|
-0.4
|
5
|
9
|
156.52
|
8
|
|
|
(1S,2S,4S,6R,7S,10S,11R)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-12-en-6-ol
|
299.40
|
2.8
|
1
|
2
|
32.59
|
0
|
|
|
ethyl (2R)-2-hydroxy-2-methylbutanoate
|
146.18
|
0.9
|
1
|
3
|
46.53
|
4
|
|
|
2,3,4-Trihydroxyphenazine-1-carboxylic acid
|
272.21
|
1.6
|
4
|
7
|
123.77
|
1
|
|
|
N-Methylpyridinium
|
94.13
|
1.5
|
0
|
0
|
3.88
|
0
|
|
|
16-Hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one
|
291.26
|
3
|
1
|
5
|
68.65
|
0
|
|
|
6-Methoxybenzofuran-5-carboxylic acid
|
192.17
|
1.8
|
1
|
4
|
59.67
|
2
|
|
|
[(1S,2S,5S,7R,8S)-10-hydroxy-12,12-dimethyl-6-methylidene-9,16-dioxo-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadec-10-en-7-yl] acetate
|
386.40
|
1.1
|
1
|
6
|
89.9
|
2
|
|
|
3-Diazo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
|
178.23
|
1.9
|
0
|
2
|
53.47
|
0
|
|
|
Dicaffeoyl quinic acid
|
516.40
|
1.5
|
7
|
12
|
211.28
|
9
|
|
|
3,5-Di-caffeoylquinic acid
|
516.40
|
1.5
|
7
|
12
|
211.28
|
9
|
|
|
3,4,6-trihydroxy-5-oxo-1-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulene-8-carboxylic acid
|
428.30
|
1.9
|
7
|
10
|
184.98
|
2
|
|
|
Agarotetrol
|
318.32
|
-0.8
|
4
|
6
|
111.13
|
3
|
|
|
2-[(1S,7S,9R,16R,18R,19R)-1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.02,15.04,13.06,11]icosa-2(15),3,6(11),13-tetraen-9-yl]acetic acid
|
446.40
|
-0.1
|
5
|
10
|
170.82
|
2
|
|
|
[[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
|
523.18
|
-5.7
|
8
|
16
|
328.53
|
8
|
|
|
Luteolin-7-o-glucuronide
|
462.40
|
0.8
|
7
|
12
|
207.35
|
4
|
|
|
Bicyclo[2.2.2]oct-2-ene
|
108.18
|
2.9
|
0
|
0
|
0
|
0
|
|
|
6-Hydroxyharman
|
200.24
|
1.7
|
2
|
2
|
48.38
|
0
|
|
|
1-Cyclooctene
|
110.20
|
3.5
|
0
|
0
|
0
|
0
|
|
|
3-Ethoxybutan-2-one
|
116.16
|
0.6
|
0
|
2
|
26.3
|
3
|
|
|
1-Acetyl-1-cyclohexene
|
124.18
|
1.9
|
0
|
1
|
17.07
|
1
|
|
|
Bicyclo[6.1.0]nonane
|
124.22
|
4.1
|
0
|
0
|
0
|
0
|
|
|
Cyclooctadecane
|
252.50
|
10
|
0
|
0
|
0
|
0
|
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