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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
1-(2,7-Dihydroxy-4-methoxyphenanthren-1-yl)-8-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,7-diol
730.80
10.8
5
9
138.07
6
Smilaside A
778.70
0.2
6
19
272.73
19
Atroviolaceoside
788.90
-0.8
10
16
257.68
7
methyl (2S,3S,4S,5R,6R)-6-[[(2S,3R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxane-2-carboxylate
1119.20
0.6
13
24
380.2
13
6-Hydroxy-4,6-dimethyl-3-hepten-2-one
156.22
1.2
1
2
37.3
3
7-Methoxy-9,10-dihydrophenanthrene-2,4-diol
242.27
3.1
2
3
49.69
1
(E)-N-(2-methylpropyl)dodec-2-en-8,10-diynamide
245.36
4.2
1
1
29.1
8
(4aR,4bS,7S,10aR)-7-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-9-one
304.50
4.6
1
2
37.3
1
Anisodine
319.40
0.6
2
6
82.53
5
CID 11616742
320.50
3
2
3
57.53
1
Sagittine G
320.50
5.4
2
3
57.53
2
Ethylene glycol linoleate
324.50
6.2
1
3
46.53
17
7-[(3-Chlorobenzyl)oxy]-4-[(Methylamino)methyl]-2h-Chromen-2-One
329.80
2.9
1
4
51.47
5
Diallyl sulfide
114.21
2.2
0
1
25.3
4
Apteniol B
344.40
2.9
2
6
93.06
9
3-[[(3aR,5R,6S,7S,7aR)-6,7-dihydroxy-3-(2-hydroxyphenyl)-2-oxo-5,6,7,7a-tetrahydro-3aH-pyrano[2,3-d][1,3]oxazol-5-yl]methoxy]-3-oxopropanoic acid
383.31
-0.6
4
10
163.06
6
Vindorosine
426.50
1.3
1
7
79.31
5
Methoxynepataefolin
436.50
1.3
0
8
92.82
3
(2R)-2-hydroxy-4-methyl-2-[2-oxo-2-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]ethyl]pentanoic acid
458.50
0.2
6
11
183.21
11
Cochinchinone B
464.50
7.8
4
6
111.13
7
1-O-methyl 5-O-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R,2S,4R,5R)-5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]oxan-2-yl]methyl] (3S)-3-hydroxy-3-methylpentanedioate
490.50
-0.9
5
11
172.21
10
4-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-({1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl}oxy)phenol
610.70
6.4
2
8
83.86
9
Cypellogin B
630.60
1.8
8
14
236.81
8
[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] heptadec-16-en-12-ynoate
661.10
16.1
0
2
26.3
20
(1S,4aR,6aR,6aR,6bR,8aR,10R,11R,12aR,14aR,14bR)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-11-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylic acid
797.00
3.2
9
14
236.06
7
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