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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(S)-3-Methylheptane
|
114.23
|
4.3
|
0
|
0
|
0
|
4
|
|
|
4alpha-Phorbol 12-myristate 13-acetate
|
616.80
|
6.5
|
3
|
8
|
130.36
|
17
|
|
|
Emodin anthrone
|
256.25
|
3.2
|
3
|
4
|
77.76
|
0
|
|
|
(E)-N-(2-aminoethyl)-3-(4-methoxyphenyl)prop-2-enamide
|
220.27
|
0.7
|
2
|
3
|
64.35
|
5
|
|
|
Decanoyl acetaldehyde
|
198.30
|
3.7
|
0
|
2
|
34.14
|
10
|
|
|
Aschantin
|
400.40
|
2.8
|
0
|
7
|
64.61
|
5
|
|
|
Mallotojaponin
|
444.50
|
4.8
|
5
|
8
|
144.52
|
7
|
|
|
2,5-Dimethylfuran
|
96.13
|
2.2
|
0
|
1
|
13.14
|
0
|
|
|
4'-Demethylpodophyllotoxin
|
400.40
|
1.7
|
2
|
8
|
103.68
|
3
|
|
|
Trigoforin
|
188.22
|
2.6
|
0
|
2
|
30.21
|
0
|
|
|
Atalaphillinine
|
377.40
|
5.7
|
3
|
5
|
82.55
|
2
|
|
|
1,5-Dicaffeoylquinic acid
|
516.40
|
1.5
|
7
|
12
|
211.28
|
9
|
|
|
Lysicamine
|
291.30
|
3.5
|
0
|
4
|
48.42
|
2
|
|
|
(2R)-2-amino-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropanoic acid
|
228.14
|
-7.8
|
4
|
8
|
154.91
|
7
|
|
|
(S)-4-deoxygadusol
|
188.18
|
-1.4
|
3
|
5
|
86.99
|
2
|
|
|
magnesium;3-[(21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate
|
613.00
|
|
0
|
9
|
143.47
|
6
|
|
|
Chlorophyll b'
|
907.50
|
|
0
|
10
|
140.72
|
23
|
|
|
(9bS)-2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
|
344.30
|
1.4
|
2
|
7
|
117.97
|
2
|
|
|
Diosquinone
|
390.30
|
3.3
|
2
|
7
|
121.27
|
1
|
|
|
2,5-Dimethyl-7-methoxychromone
|
204.22
|
2.3
|
0
|
3
|
39.44
|
1
|
|
|
1,2,12,20-Tetrahydroxypicras-3-ene-11,16-dione
|
380.40
|
-0.8
|
4
|
7
|
124.29
|
1
|
|
|
Celastrol
|
450.60
|
5.9
|
2
|
4
|
74.6
|
1
|
|
|
6,6'-Dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol
|
594.70
|
6
|
2
|
8
|
83.86
|
2
|
|
|
3-[(2,6-Dideoxy-3-o-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
|
518.70
|
3
|
2
|
7
|
94.45
|
4
|
|
|
Procyanidin B2, (+)-
|
578.50
|
2.4
|
10
|
12
|
220.76
|
3
|
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