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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
Isostegane
398.40
3.5
0
7
72.45
3
3-Hexen-1-ol
100.16
1.3
1
1
20.23
3
1beta-Hydroxybufalin
402.50
2.2
3
5
90.9
1
Sayaendoside
416.40
-1.3
6
10
158.3
8
norcaesalpinin C
418.50
3.4
2
7
110.13
5
Dulcinol
424.60
5.3
1
4
63.6
4
[(E)-2-[(1S,5S,7R,8S,9S,12S)-2-formyl-5-methoxy-5,9-dimethyl-12-propan-2-yl-4-oxatricyclo[7.3.1.03,7]tridec-2-en-8-yl]ethenyl] 3-methylbut-2-enoate
430.60
5.6
0
5
61.83
7
(1S,2R,5S,6S,7R,8R,11S)-7,11-dihydroxy-6-methyl-11-propan-2-yl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-9-oxatricyclo[6.2.1.02,6]undecan-10-one
446.50
-0.8
6
10
166.14
5
Glutaronitrile
94.11
-0.7
0
2
47.58
2
Namogenin C
460.60
1.8
4
6
99.38
0
Fabiatrin
486.40
-2.4
6
13
197.74
6
Lactucain B
536.60
-0.3
2
9
136.43
4
(2S,3R,4S,5S,6R)-2-[4-[[(3S,4S,5R)-4-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
538.50
-0.5
7
12
187.76
9
[(2R,3S,4S,5R,6S)-6-[[(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
596.50
2
7
13
212.67
8
(2S)-4-[(10R,13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-10,13-dihydroxytridecyl]-2-methyl-2H-furan-5-one
638.90
8
4
8
125.68
25
Ufcgpjwmjbsbeb-fpwovrjgsa-
662.80
3.6
4
10
144.14
5
[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-6-[[(1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate
1267.40
-1.7
14
28
420.28
20
(3R,4R)-4-hydroxy-3-methyloxolan-2-one
116.11
-0.2
1
3
46.53
0
2-Ethyl-3-propylacrolein, (Z)-
126.20
2.3
0
1
17.07
4
(-)-Dihydromyrcene
138.25
4.2
0
0
0
4
(A+/-)-1,3,3-Trimethyl-2-norbornanol
154.25
2.5
1
1
20.23
0
(E)-2-Methyl-2-nonenal
154.25
3.5
0
1
17.07
6
4-Hydroxy-2-nonenal, (+)-
156.22
1.7
1
2
37.3
6
(5S)-2,5,6,6-tetramethylcyclohexa-1,3-diene-1-carbaldehyde
164.24
2.5
0
1
17.07
1
3-(3-Methoxy-4-methylphenyl)propan-1-ol
180.24
2.2
1
2
29.46
4
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