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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Chondrocurine
|
594.70
|
6
|
2
|
8
|
83.86
|
2
|
|
|
(3S,3aR,4S,9aR,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
|
278.30
|
-0.6
|
2
|
5
|
83.83
|
1
|
|
|
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
|
924.10
|
0
|
12
|
18
|
319.61
|
3
|
|
|
Antimycin A
|
548.60
|
5.3
|
3
|
9
|
157.33
|
12
|
|
|
4,5-Dioxodehydrocrebanine
|
365.30
|
3.2
|
0
|
6
|
74.3
|
2
|
|
|
Dehydrocrebanine
|
337.40
|
4.3
|
0
|
5
|
40.16
|
2
|
|
|
(E)-2-benzyl-3-(4-hydroxyphenyl)prop-2-enoic acid
|
254.28
|
3.4
|
2
|
3
|
57.53
|
4
|
|
|
9,10,13-Trihydroxyoctadec-11-enoic acid
|
330.50
|
3.1
|
4
|
5
|
97.99
|
15
|
|
|
Vancomycin
|
1449.20
|
-2.6
|
19
|
26
|
530.49
|
13
|
|
|
1,8,15-Heptadecatriene-11,13-diyne
|
226.36
|
6
|
0
|
0
|
0
|
8
|
|
|
2-(Methoxymethyl)-1,3-dihydroxyanthraquinone
|
284.26
|
2.4
|
2
|
5
|
83.83
|
2
|
|
|
2-Anthracenecarboxylic acid, 9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, methyl ester
|
298.25
|
3.1
|
2
|
6
|
100.9
|
2
|
|
|
Isotussilagine
|
199.25
|
0.6
|
1
|
4
|
49.77
|
2
|
|
|
5-Acetylfurfural
|
138.12
|
0.8
|
0
|
3
|
47.28
|
2
|
|
|
Glycyrrhizin
|
822.90
|
3.7
|
8
|
16
|
267.04
|
7
|
|
|
5-[14-(3,5-Dihydroxyphenyl)tetradecyl]-2-methylbenzene-1,3-diol
|
428.60
|
9.6
|
4
|
4
|
80.92
|
15
|
|
|
Alpha-Tocopherol
|
430.70
|
10.7
|
1
|
2
|
29.46
|
12
|
|
|
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
|
416.70
|
10.3
|
1
|
2
|
29.46
|
12
|
|
|
Lysergol
|
254.33
|
2.2
|
2
|
2
|
39.26
|
1
|
|
|
(3R)-3-hydroxy-4-methoxy-4-oxobutanoic acid
|
148.11
|
-1
|
2
|
5
|
83.83
|
4
|
|
|
Aloin B
|
418.40
|
-0.1
|
7
|
9
|
167.91
|
3
|
|
|
2-[(1E,3E,5E,7E,9E)-3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
|
404.70
|
9.7
|
0
|
0
|
0
|
6
|
|
|
Gomisin G
|
536.60
|
5
|
1
|
9
|
101.91
|
7
|
|
|
Gomisin M2, (+)-
|
386.40
|
4.8
|
1
|
6
|
66.38
|
3
|
|
|
Benzoylgomisin H
|
522.60
|
5.5
|
1
|
8
|
92.68
|
8
|
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