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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1,2-Benzoquinone
|
108.09
|
0.4
|
0
|
2
|
34.14
|
0
|
|
|
[(Z)-4-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,6-trihydroxy-7-methoxy-9-oxoxanthen-2-yl]-2-methylbut-2-enyl] acetate
|
536.60
|
7.5
|
3
|
8
|
126.43
|
11
|
|
|
1-O-Deacetylohchinolide B
|
582.70
|
3.4
|
1
|
9
|
121.5
|
6
|
|
|
Cryptophycin 327
|
655.20
|
6.2
|
2
|
8
|
132.56
|
8
|
|
|
cyclo-(Gly1-Leu-Pro1-Gly2-Phe-Tyr-Pro2)
|
731.80
|
2.2
|
6
|
8
|
206.35
|
6
|
|
|
Dimethyl lithospermate B
|
746.70
|
4.6
|
7
|
16
|
256.04
|
16
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,3R,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
760.90
|
2.3
|
10
|
14
|
239.22
|
11
|
|
|
(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]oxane-3,4,5-triol
|
873.10
|
1.1
|
10
|
16
|
257.68
|
7
|
|
|
1,4-Dideoxy-1,4-epithio-d-arabinitol
|
150.20
|
-0.7
|
3
|
4
|
85.99
|
1
|
|
|
(6R,7aS)-6-hydroxy-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
|
154.16
|
-0.1
|
1
|
3
|
46.53
|
0
|
|
|
4-[(1R,3R,5S,8R)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-one
|
226.31
|
0.9
|
1
|
3
|
46.53
|
3
|
|
|
2-[(4R,4aS)-4,7-dimethyl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl]prop-2-enoic acid
|
232.32
|
3
|
1
|
2
|
37.3
|
2
|
|
|
2-[(4-methylphenyl)methylamino]benzoic Acid
|
241.28
|
4
|
2
|
3
|
49.33
|
4
|
|
|
(1r,2s)-1-(2,4,5-Trimethoxyphenyl)-propane-1,2-diol
|
242.27
|
0.7
|
2
|
5
|
68.15
|
5
|
|
|
(9R)-4-methoxy-9H-fluorene-2,5,9-triol
|
244.24
|
1.7
|
3
|
4
|
69.92
|
1
|
|
|
(3S,5R,6R)-10-(hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]dec-9-en-8-one
|
250.33
|
1.5
|
2
|
3
|
57.53
|
3
|
|
|
Heliannuol D
|
250.33
|
3
|
2
|
3
|
49.69
|
1
|
|
|
2-[(2R,7R,8S,8aR)-7-hydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol
|
254.36
|
1.3
|
3
|
3
|
60.69
|
2
|
|
|
Dihydrotanshinone I
|
278.30
|
3.2
|
0
|
3
|
43.37
|
0
|
|
|
1-Methoxyspirobrassinin
|
280.40
|
2
|
0
|
5
|
92.5
|
2
|
|
|
(1S)-1-[(4-hydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
|
285.34
|
2.7
|
3
|
4
|
63.93
|
2
|
|
|
1-[1-Oxo-3(3,4-methylenedioxy-5-methoxyphenyl)-2z-propenyl]piperidine
|
289.33
|
2.4
|
0
|
4
|
48
|
3
|
|
|
cis-9,10-Methyleneoctadecanoic acid
|
296.50
|
7.2
|
1
|
2
|
37.3
|
15
|
|
|
(2S,4aR,5S,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
|
306.50
|
4.2
|
2
|
2
|
40.46
|
4
|
|
|
2-Hydroxy-4-(methylthio)butyric acid
|
150.20
|
0.2
|
2
|
4
|
82.83
|
4
|
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