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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
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
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