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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
3-deoxy-D-arabino-heptulosonate-7-phosphate
|
288.15
|
-4
|
6
|
10
|
191.63
|
8
|
|
|
(6aR,9R)-N-[(1S,2S,4R,7R)-7-benzyl-4-ethyl-2-hydroxy-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
|
595.70
|
2.6
|
3
|
6
|
118.21
|
5
|
|
|
beta-Ureidoisobutyric acid
|
146.14
|
-1
|
3
|
3
|
92.42
|
3
|
|
|
Saicar
|
454.28
|
-4.3
|
8
|
14
|
273.8
|
9
|
|
|
Cyanidin 3-galactoside p-coumaric acid ester
|
595.50
|
|
8
|
12
|
217.9
|
8
|
|
|
1,3,4-tri-O-galloyl-beta-glucopyranose
|
636.50
|
0.4
|
11
|
18
|
310.66
|
10
|
|
|
Complanadine D
|
486.70
|
4.7
|
3
|
4
|
48.98
|
1
|
|
|
latilagascene E
|
600.70
|
5.4
|
2
|
8
|
122.66
|
9
|
|
|
Petasiphenone
|
330.29
|
2.2
|
4
|
7
|
124.29
|
6
|
|
|
3-[[(2R,3S,4S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
|
534.40
|
0.2
|
7
|
14
|
233.65
|
8
|
|
|
2H-Pyran-2-one, 4-methoxy-6-(2-phenylethyl)-
|
230.26
|
2.7
|
0
|
3
|
39.44
|
4
|
|
|
Chamaecypanone C
|
430.50
|
3.4
|
3
|
5
|
94.83
|
3
|
|
|
(2R,3S)-2,4-bis(4-hydroxyphenyl)-3,6-dihydro-2H-pyran-3-ol
|
284.31
|
1.7
|
3
|
4
|
69.92
|
2
|
|
|
2-[(1R)-1-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpyridin-3-ol
|
409.60
|
6.1
|
2
|
3
|
53.35
|
2
|
|
|
4,4'-Dihydroxydiphenyl ether
|
202.21
|
2
|
2
|
3
|
49.69
|
2
|
|
|
Fragransin A2
|
344.40
|
3.7
|
2
|
5
|
68.15
|
4
|
|
|
8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-phenanthren-3-ol
|
268.40
|
6.2
|
1
|
1
|
20.23
|
1
|
|
|
3,6-Anhydro-D-galactose
|
162.14
|
-1.9
|
3
|
5
|
86.99
|
2
|
|
|
avenic acid A
|
322.31
|
-6.6
|
7
|
10
|
176.42
|
13
|
|
|
avenic acid B
|
221.21
|
-3.9
|
5
|
7
|
127.09
|
8
|
|
|
(S,S,S)-avenic acid A
|
322.31
|
-6.6
|
7
|
10
|
176.42
|
13
|
|
|
6-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
594.50
|
-1.4
|
10
|
15
|
260.2
|
6
|
|
|
4'-Demethyldeoxypodophyllotoxin
|
384.40
|
2.8
|
1
|
7
|
83.45
|
3
|
|
|
(3S,3aR,7S,8aR)-3,3a,4,7,8,8a-Hexahydro-6-(2-hydroxyethyl)-3,7-dimethyl-2H-cyclohepta[b]furan-2-one
|
224.30
|
1.7
|
1
|
3
|
46.53
|
2
|
|
|
1-[(1R,12R,13R,18R)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
|
336.40
|
2.2
|
0
|
3
|
34.47
|
1
|
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