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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Hexadecyl docosanoate
|
565.00
|
18.4
|
0
|
2
|
26.3
|
36
|
|
|
3,4-Dimethoxyphenol
|
154.16
|
1.7
|
1
|
3
|
38.69
|
2
|
|
|
3,4,5-Trihydroxy-4-methoxycyclohexa-1,5-diene-1-carboxylic acid
|
202.16
|
-1.7
|
4
|
6
|
107.22
|
2
|
|
|
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
|
383.60
|
8.3
|
1
|
1
|
29.1
|
17
|
|
|
(5Z,8Z,11Z,14Z,17Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14,17-pentaenamide
|
421.60
|
6.8
|
1
|
2
|
38.33
|
16
|
|
|
(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
|
391.60
|
6.8
|
1
|
1
|
29.1
|
15
|
|
|
N(5)-Hydroxy-L-arginine
|
190.20
|
-4.1
|
5
|
5
|
136.66
|
6
|
|
|
3-Methylbutyl octanoate
|
214.34
|
4.8
|
0
|
2
|
26.3
|
10
|
|
|
(3r)-3,6,8-Trihydroxy-3,4-dihydronaphthalen-1(2h)-one
|
194.18
|
0.9
|
3
|
4
|
77.76
|
0
|
|
|
D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)
|
940.70
|
3.6
|
15
|
26
|
444.18
|
16
|
|
|
5-[(2R,3R)-7-Methoxy-3-methyl-5-[(1E)-prop-1-EN-1-YL]-2,3-dihydro-1-benzofuran-2-YL]-2H-1,3-benzodioxole
|
324.40
|
4.6
|
0
|
4
|
36.92
|
3
|
|
|
(1S,3aS,4R,8aR,9S)-1,5,5,8a-tetramethyldecahydro-1,4-methanoazulen-9-ol
|
222.37
|
4.5
|
1
|
1
|
20.23
|
0
|
|
|
(1S,3aS,4R,8aR,9R)-1,5,5,8a-tetramethyldecahydro-1,4-methanoazulen-9-ol
|
222.37
|
4.5
|
1
|
1
|
20.23
|
0
|
|
|
Uralsaponin Q
|
941.10
|
1.8
|
10
|
19
|
308.89
|
8
|
|
|
Uralsaponin R
|
971.10
|
1.8
|
11
|
20
|
329.12
|
9
|
|
|
PQ6CF5PB4L
|
458.50
|
-1.3
|
6
|
11
|
167.53
|
7
|
|
|
1-O-beta-GLUCOPYRANOSYL-(2S,3R,8Z)-2-N-((2'R)-HYDROXYPALMITOYL)-8-SPHINGENINE
|
716.00
|
10.1
|
7
|
9
|
168.94
|
33
|
|
|
10 Hydroxyipomeabisfuran
|
262.30
|
1.6
|
1
|
4
|
55.74
|
4
|
|
|
(1S,2S,3S,9R,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
|
680.70
|
6.8
|
8
|
9
|
171.07
|
4
|
|
|
Uralsaponin P
|
824.90
|
2.9
|
9
|
16
|
270.2
|
7
|
|
|
Coagulin Q
|
620.80
|
2.5
|
6
|
10
|
166.14
|
5
|
|
|
(1S,2S,3S,9R,10S,17R)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
|
680.70
|
6.8
|
8
|
9
|
171.07
|
4
|
|
|
Uralsaponin M
|
881.00
|
3
|
8
|
18
|
293.34
|
9
|
|
|
2-Methylbutyl butyrate
|
158.24
|
2.6
|
0
|
2
|
26.3
|
6
|
|
|
(2R,3S)-3,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone
|
370.40
|
3.5
|
3
|
6
|
96.22
|
4
|
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