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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
(2r,5s)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one
208.30
1.8
0
2
26.3
0
4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]phenol
218.33
5.1
1
1
20.23
1
Epibubbialine
221.25
-0.2
1
4
49.77
0
(+)-Epicubenol
222.37
3.7
1
1
20.23
1
(R)-Sesquilavandulol
222.37
4.9
1
1
20.23
7
Dihydroarteannuin B
250.33
2.7
0
3
38.83
0
12-Oxabicyclo[9.1.0]dodeca-3,7-diene
164.24
2.9
0
1
12.53
0
Juvocimene I
282.40
6.6
0
1
9.23
7
CID 11832956
284.35
2.5
1
5
57.15
0
4-Methylcoumarin
160.17
2.3
0
2
30.21
0
(R)-Lasiodiplodin
292.40
4.7
1
4
55.76
1
(13R,15S,16S,18R)-15-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraen-13-ol
312.40
2.2
2
3
51.79
1
(5E)-3-methyl-5-[4-[(2S)-2-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
317.40
2.7
0
5
55.84
5
Hxilytqmwoycat-uifitflssa-
322.40
4.3
0
4
52.6
2
Hydron;2-methylidenebutanedioate
130.10
2
4
80.26
1
7,8-Dimethoxy-3',4'-methylenedioxyflavone
326.30
2.9
0
6
67.13
3
7-Methoxy-9-methyl-3,4-dihydropyrido[3,4-b]indole
214.26
1.7
0
2
26.52
1
(2S)-2-Amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]hexanoic acid
377.33
-6
6
10
185.04
11
1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-, (4S)-
152.23
2.7
0
1
17.07
2
Rxkjujblhwqkca-fxlmwscqsa-
280.27
0.8
4
6
107.22
4
Bisdehydrostemoninine
385.50
2.7
0
5
66.76
2
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
505.50
-2.4
9
14
241.85
10
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-aminopropanoate
413.37
-3.6
8
13
221.62
8
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S)-2-amino-3-methylbutanoate
441.40
-2.7
8
13
221.62
9
[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (2S,3R)-2-amino-3-hydroxybutanoate
443.40
-4.3
9
14
241.85
9
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