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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1R,3aR,5aR,5bR,7R,7aR,11aR,11bR,13aR,13bR)-7-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one
|
440.70
|
8.2
|
1
|
2
|
37.3
|
1
|
|
|
3,5,6,7,8,3',4'-Heptamethphoxyflavone
|
432.40
|
3.2
|
0
|
9
|
94.82
|
8
|
|
|
2,4-Dihydroxy-6-(2-oxopropyl)benzoic acid
|
210.18
|
0.9
|
3
|
5
|
94.83
|
3
|
|
|
Phe-arg
|
321.37
|
-3.7
|
5
|
5
|
156.82
|
9
|
|
|
Methyl 1-methoxy-1h-indole-3-acetate
|
219.24
|
2.2
|
0
|
3
|
40.46
|
4
|
|
|
2-Methylhexacosane
|
380.70
|
14.6
|
0
|
0
|
0
|
23
|
|
|
gamma-Cadinene
|
204.35
|
4.3
|
0
|
0
|
0
|
1
|
|
|
[(2R,3S,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxo-hexoxy]phosphonic acid
|
301.19
|
-4.5
|
6
|
9
|
183.43
|
8
|
|
|
3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo[7]annulene
|
204.35
|
3.9
|
0
|
0
|
0
|
0
|
|
|
11-Hydroxytetradecanoic acid
|
244.37
|
4.1
|
2
|
3
|
57.53
|
12
|
|
|
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
|
458.40
|
0.7
|
4
|
10
|
155.89
|
6
|
|
|
methyl (2R)-2-hydroxy-8-(2-octylcyclopropen-1-yl)octanoate
|
324.50
|
6.1
|
1
|
3
|
46.53
|
16
|
|
|
(4R,5S)-4,5-dihydroxy-3-methylcyclopent-2-en-1-one
|
128.13
|
-1.2
|
2
|
3
|
57.53
|
0
|
|
|
Isotachioside
|
302.28
|
-1.4
|
5
|
8
|
128.84
|
4
|
|
|
2,9,9-Trimethyl-5-methylene-6,7,8,9-tetrahydro-5H-benzo[7]annulene
|
200.32
|
4.9
|
0
|
0
|
0
|
0
|
|
|
2,3,6-Trimethylpyridine
|
121.18
|
2
|
0
|
1
|
12.89
|
0
|
|
|
4-Amino-L-Phenylalanine
|
180.20
|
-2.2
|
3
|
4
|
89.34
|
3
|
|
|
Galactonolactone
|
178.14
|
-2.6
|
4
|
6
|
107.22
|
0
|
|
|
2-Phenylethyl hexadecanoate
|
360.60
|
9.4
|
0
|
2
|
26.3
|
18
|
|
|
Altisin
|
358.30
|
3.3
|
1
|
7
|
87.36
|
5
|
|
|
5,6,2'-Trihydroxy-7,8-dimethoxyflavone
|
330.29
|
2.6
|
3
|
7
|
109.36
|
3
|
|
|
(2s)-5-Hydroxy-7,8,2',6'-tetramethoxyflavanone
|
360.40
|
3
|
1
|
7
|
83.45
|
5
|
|
|
4-O-Methylglucuronic acid
|
208.17
|
-2
|
4
|
7
|
124.29
|
6
|
|
|
2-Hydroxy-1,4-benzoquinone
|
124.09
|
0.2
|
1
|
3
|
54.37
|
0
|
|
|
5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone
|
346.30
|
2.3
|
4
|
8
|
129.59
|
3
|
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