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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Cerbinal
|
204.18
|
1.3
|
0
|
4
|
56.51
|
3
|
|
|
Campestanyl ferulate
|
578.90
|
11.9
|
1
|
4
|
55.76
|
10
|
|
|
Sclerodione
|
312.30
|
4.3
|
2
|
5
|
83.83
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1081.20
|
-1.8
|
14
|
24
|
375.52
|
12
|
|
|
N,N'-Dicyclohexyloxamide
|
252.35
|
2.9
|
2
|
2
|
58.2
|
2
|
|
|
Methyl 2-(2,5-dihydroxyphenyl)acetate
|
182.17
|
1
|
2
|
4
|
66.76
|
3
|
|
|
Estradiol Valerate
|
356.50
|
6
|
1
|
3
|
46.53
|
5
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
|
418.40
|
-2.9
|
7
|
11
|
178.53
|
7
|
|
|
Kaempferol 3-b-laminaribioside
|
610.50
|
-0.9
|
10
|
16
|
269.43
|
7
|
|
|
6-Methyl-1H-indole
|
131.17
|
3.3
|
1
|
0
|
15.79
|
0
|
|
|
7-Hydroxy-1-methoxy-3-methylcarbazole
|
227.26
|
3.4
|
2
|
2
|
45.25
|
1
|
|
|
5,10-Nonacosanediol
|
440.80
|
12.1
|
2
|
2
|
40.46
|
26
|
|
|
5-Methylthiazole
|
99.16
|
1.4
|
0
|
2
|
41.13
|
0
|
|
|
5-Aminovaleric acid
|
117.15
|
-2.6
|
2
|
3
|
63.32
|
4
|
|
|
7-Hydroxyheptanoic acid
|
146.18
|
-0.5
|
2
|
3
|
57.53
|
6
|
|
|
6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone
|
374.40
|
3.7
|
1
|
7
|
83.45
|
8
|
|
|
6-Tetradecyne
|
194.36
|
6.6
|
0
|
0
|
0
|
8
|
|
|
Isomedicarpin
|
270.28
|
2.6
|
1
|
4
|
47.92
|
1
|
|
|
3-(3-Methylphenyl)propionic acid
|
164.20
|
2.2
|
1
|
2
|
37.3
|
3
|
|
|
3-(Benzyloxy)phenol
|
200.23
|
3.4
|
1
|
2
|
29.46
|
3
|
|
|
9-Hydroxynonanoic acid
|
174.24
|
0.4
|
2
|
3
|
57.53
|
8
|
|
|
p-Aspidin
|
460.50
|
4.1
|
4
|
8
|
141.36
|
9
|
|
|
[(1S,3S,4S,7S,10S)-4,12-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
986.00
|
1
|
6
|
18
|
280.21
|
16
|
|
|
2-[4-[(3aR,6aS)-6-[3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
742.70
|
-1.4
|
8
|
18
|
254.14
|
12
|
|
|
(1S,4S,8S,9R,11R)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione
|
326.30
|
-0.3
|
2
|
8
|
119.36
|
1
|
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