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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
4-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenol
300.30
3.7
1
4
47.92
4
Nonan-3-yl acetate
186.29
4
0
2
26.3
8
Alangine
303.40
2.4
2
4
52.93
4
(2R,3R,4S,5S,6R)-2-[(2R,3R,4R)-3-hydroxy-2-(hydroxymethyl)piperidin-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
309.31
-3
7
9
151.87
4
Pancixanthone A
312.30
4.4
3
5
90.9
2
(13aR)-12-ethenyl-2-hydroxy-3-methoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
322.40
2.3
1
4
62.66
2
(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]oxolan-2-one
328.40
3.3
2
5
75.99
5
3-[2-[(1R,2S,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-3-oxo-2,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]-2H-furan-5-one
334.40
2.9
1
4
63.6
3
Tumonoic acid A
339.50
4
2
4
77.84
10
Kushenol S
340.40
4.3
3
5
86.99
3
1,3,6-Trihydroxy-5-methoxy-4-(3-methylbut-2-enyl)xanthen-9-one
342.30
4.3
3
6
100.13
3
Draconin A
865.00
1.1
5
17
235.43
10
9Z,12Z-octadecadienoic acid, 2-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]-1-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]ethyl ester
883.40
21.7
0
6
78.9
52
1-[(2'S,3S,4'R,5R,10S,13S,14S,17S)-3-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,4-bis(hydroxymethyl)-4',10,13,14-tetramethylspiro[1,2,3,5,6,7,11,12,15,16-decahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-yl]propan-1-one
1225.30
-4.8
16
28
442.28
18
Yunbnnzsauthaw-qlsgohfrsa-
1457.30
-0.4
14
35
516.25
32
Dihydropulegon
154.25
2.7
0
1
17.07
1
(5S)-5-phenyl-1,3-oxazolidin-2-one
163.17
1.2
1
2
38.33
1
Methyl 4-oxooctanoate
172.22
1.2
0
3
43.37
7
(3R,6S)-2,6-dimethyloct-7-ene-2,3,6-triol
188.26
0.4
3
3
60.69
5
alpha-Selinene
204.35
5.2
0
0
0
1
1H-Pyrido[3,4-b]indole-1,3 4(2H,9H)-trione
214.18
1.1
2
3
79.03
0
alpha-Agarofuran
220.35
3
0
1
9.23
0
2-Cyclohexen-1-one, 6-(1,5-dimethyl-4-hexenyl)-3-methyl-
220.35
4.1
0
1
17.07
4
(11R)-dihydroartemisinic aldehyde
220.35
3.8
0
1
17.07
2
(5R,9S)-9-ethenyl-9-methyl-2-propan-2-yl-1,7-dioxaspiro[4.4]non-2-ene-4,6-dione
236.26
2.4
0
4
52.6
2
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