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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[2,3-dihydroxy-5-[(2R,3R)-3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenyl] 3,4,5-trihydroxybenzoate
|
472.40
|
1.8
|
8
|
12
|
214.44
|
4
|
|
|
Docetaxel
|
807.90
|
1.6
|
5
|
14
|
224.45
|
13
|
|
|
Lonafarnib
|
638.80
|
4.8
|
1
|
3
|
79.53
|
3
|
|
|
25-Hydroxy-33-methylpentatricontan-6-one
|
537.00
|
15.1
|
1
|
2
|
37.3
|
32
|
|
|
Sedinone
|
275.40
|
2.1
|
1
|
3
|
40.54
|
5
|
|
|
1-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]propan-2-one
|
275.40
|
2.1
|
1
|
3
|
40.54
|
5
|
|
|
1-[(2S,6R)-2-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-one
|
273.37
|
1.9
|
1
|
3
|
40.54
|
5
|
|
|
(E)-9-methyloctadec-9-ene
|
266.50
|
9.7
|
0
|
0
|
0
|
14
|
|
|
1,4-Bis(2,4-dihydroxyphenyl)butane-1,4-dione
|
302.28
|
2.5
|
4
|
6
|
115.06
|
5
|
|
|
1,4-Bis(2-hydroxy-4-methoxyphenyl)butane-1,4-dione
|
330.30
|
3.2
|
2
|
6
|
93.06
|
7
|
|
|
1,5,7-Trihydroxy-3-methoxy xanthone
|
274.22
|
2.4
|
3
|
6
|
100.13
|
1
|
|
|
Linocaffein
|
342.30
|
-1.4
|
6
|
9
|
156.91
|
5
|
|
|
3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
|
596.50
|
-1.2
|
10
|
16
|
269.43
|
6
|
|
|
Daturataturin A
|
616.70
|
2.4
|
5
|
10
|
162.98
|
6
|
|
|
(2S,3S,4S,5R,6S)-6-(5,8-dimethoxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
474.40
|
1.2
|
4
|
11
|
165.12
|
6
|
|
|
(2S,3S,4S,5R,6S)-6-[5,8-dihydroxy-2-(2-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
462.40
|
0.8
|
7
|
12
|
207.35
|
4
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid
|
520.40
|
1.4
|
5
|
13
|
194.58
|
7
|
|
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
|
506.40
|
1.1
|
6
|
13
|
205.58
|
6
|
|
|
7-Hydroxy-5,8-Dimethoxyflavone
|
298.29
|
2.8
|
1
|
5
|
68.9
|
3
|
|
|
10-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-8-methoxy-2-methylbenzo[h]chromen-4-one
|
566.50
|
-0.6
|
7
|
14
|
217.97
|
7
|
|
|
(5-Hydroxy-8-methoxy-2,7-dimethyl-4-oxobenzo[h]chromen-10-yl) hydrogen sulfate
|
366.30
|
2.8
|
2
|
8
|
131.65
|
3
|
|
|
(22E,24R)-Stigmasta-4,22-diene-3,6-dione
|
424.70
|
7.6
|
0
|
2
|
34.14
|
5
|
|
|
5,6-Dihydroxy-3-(4-hydroxyphenyl)-7-methoxychromen-4-one
|
300.26
|
2.6
|
3
|
6
|
100.13
|
2
|
|
|
Decarbomethoxytetrahydrosecodine
|
284.40
|
4.8
|
1
|
1
|
19.03
|
5
|
|
|
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
492.40
|
0.8
|
6
|
12
|
188.51
|
6
|
No matching records found on this page.