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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[3.3.3]Propellane
|
150.26
|
4.7
|
0
|
0
|
0
|
0
|
|
|
Lipase, triacylglycerol
|
238.20
|
|
2
|
5
|
78.07
|
2
|
|
|
[2-[1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,5-trihydroxy-6-oxobenzo[7]annulen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
|
868.70
|
4.7
|
13
|
20
|
351.12
|
8
|
|
|
Hexadeca-6,8,12,14-tetraen-10-ynyl acetate
|
272.40
|
5
|
0
|
2
|
26.3
|
9
|
|
|
7-Hydroxy-5,5,9-trimethyl-3-propan-2-ylanthracene-1,2,6-trione
|
324.40
|
3.7
|
1
|
4
|
71.44
|
1
|
|
|
Bisindigotin
|
490.50
|
5.1
|
2
|
5
|
86.68
|
2
|
|
|
Diphenazithionin
|
610.60
|
3.8
|
3
|
14
|
224.29
|
8
|
|
|
Proanthocyanidin A4
|
576.50
|
2.4
|
9
|
12
|
209.76
|
2
|
|
|
Cis-3,5-Dimethoxystilbene
|
240.30
|
4.1
|
0
|
2
|
18.46
|
4
|
|
|
L-Monapterin
|
253.22
|
-3.5
|
5
|
7
|
158.24
|
3
|
|
|
Phenicin
|
274.22
|
0.2
|
2
|
6
|
108.74
|
1
|
|
|
C.I. Natural Red 26
|
910.80
|
-2.5
|
15
|
22
|
407.26
|
11
|
|
|
(6aS,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
|
547.60
|
1.8
|
3
|
6
|
118.21
|
4
|
|
|
Propane, 2-(ethenyloxy)-
|
86.13
|
1.6
|
0
|
1
|
9.23
|
2
|
|
|
(3S,3aS,5aS,5bR,7aS,11aS,11bR,13aS,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-[(2R)-oxiran-2-yl]-2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydro-1H-cyclopenta[a]chrysen-13a-ol
|
428.70
|
7.8
|
1
|
2
|
32.76
|
1
|
|
|
2-(4-hydroxy-2-methoxyphenyl)-4-(4-hydroxyphenyl)-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)chromen-7-one
|
522.50
|
4.8
|
2
|
7
|
98.36
|
5
|
|
|
[[5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate
|
603.30
|
-6.4
|
8
|
18
|
357
|
9
|
|
|
(5E,9Z)-3,6,10-Trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one
|
230.30
|
2.9
|
0
|
2
|
30.21
|
0
|
|
|
[5,6-Dihydroxy-3,11,11,14-tetramethyl-4-(2-methylpropanoyloxy)-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl 2-methylpropanoate
|
488.60
|
2.9
|
2
|
7
|
110.13
|
7
|
|
|
(3aS,5S,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
|
248.32
|
2.1
|
0
|
3
|
43.37
|
0
|
|
|
1,2-Naphthalenedione, 7,8-dihydroxy-3-methyl-5-(1-methylethyl)-
|
246.26
|
2.8
|
2
|
4
|
74.6
|
1
|
|
|
2-Hydroxyphenazine-1-carboxylic acid
|
240.21
|
2.4
|
2
|
5
|
83.31
|
1
|
|
|
6-Undecanone
|
170.29
|
3.8
|
0
|
1
|
17.07
|
8
|
|
|
(2S)-4-[(E)-2-[(2R)-2-carboxy-5,6-dihydroxy-2,3-dihydroindol-1-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
|
388.30
|
0.6
|
5
|
10
|
167.96
|
5
|
|
|
(8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
396.60
|
8
|
0
|
1
|
17.07
|
4
|
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