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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
Deoxypicropodophyllotoxin
398.40
3.1
0
7
72.45
4
5,6,8-trimethoxy-4-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
402.40
3.3
0
7
72.45
7
1,5,8-Trihydroxy-3-methoxy-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
410.50
6.3
3
6
100.13
5
(+)-Lyoniresinol
420.50
2
4
8
117.84
7
(3S,4S)-4-[bis(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-(hydroxymethyl)oxolan-2-one
430.40
3
1
9
101.91
6
[(9R,10R)-9-acetoxy-3-methoxy-8,8-dimethyl-4-oxo-2-phenyl-9,10-dihydropyrano[2,3-f]chromen-10-yl] acetate
452.50
3.4
0
8
101.27
6
Rubriflordilactone B
462.50
3.6
0
6
71.06
1
Rubriflordilactone A
464.50
4.3
0
6
71.06
1
[(2S,3R,4R,5S)-4-(hydroxymethyl)-2,5-bis(7-methoxy-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
474.50
2.2
1
10
111.14
8
Scrophuloside B
474.50
1.2
4
10
151.98
9
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-methoxy-4-[(1S,2S)-1,2,3-trihydroxypropyl]phenoxy]oxan-2-yl]methyl 4-hydroxybenzoate
496.50
-1.1
7
12
195.6
10
(2R,3R,4S,5S,6R)-2-(((E)-4-((9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)amino)-2-methylbut-2-en-1-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
513.50
-1.7
8
14
224.93
9
Cypellogin C
632.60
1.7
8
14
236.81
8
[(2R,3S,4S,5R,6R)-6-[[(3aS,5aR,6R,9aS,9bS)-9-[[2-(4-hydroxyphenyl)acetyl]oxymethyl]-5a-methyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate
694.70
2.2
5
13
198.51
12
[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-[(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-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
804.90
-1.2
11
18
294.98
10
Bromoacetone
136.98
0.7
0
1
17.07
1
(4aS,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4S,5S,6R)-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-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
1269.40
-3.2
18
29
473.51
16
Benzoic acid, pentahydroxy-
202.12
0.8
6
7
138.45
1
3-Buten-2-OL
72.11
0.6
1
1
20.23
1
Tagalsin H
306.40
4.5
1
3
54.37
4
1,7-Dihydroxy-4-methoxy-1-(2-oxopropyl)phenanthren-2-one
312.30
1.9
2
5
83.83
3
8,9-Dihydrocannabidiol
316.50
6.6
2
2
40.46
6
[(4R,4aS,7R,8S,8aR)-8-[2-(furan-3-yl)ethyl]-7,8-dimethyl-5-oxospiro[1,2,3,6,7,8a-hexahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate
374.50
3.2
0
5
69.04
6
methyl 2-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
446.40
-2.5
6
12
184.6
7
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2,4-dimethoxyphenoxy)oxane-3,4,5-triol
448.40
-2.1
6
12
176.76
8
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