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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
3-(2,4-Dihydroxyphenyl)-1-[3-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]prop-2-en-1-one
676.70
7.2
7
10
184.98
7
3-Methyllumichrome
256.26
1.3
1
4
80.64
0
Cyclopropene
40.06
1.1
0
0
0
0
6-Methoxy-1-phenazinecarboxylic acid methyl ester
268.27
2.5
0
5
61.31
3
Methyl 2-methoxyphenazine-1-carboxylate
268.27
2.5
0
5
61.31
3
1,2,3-Trithiane
138.30
1.5
0
3
75.9
0
1-(3,4-Dihydroxyphenyl)-3-(4-hydroxy-2,6-dimethoxyphenyl)prop-2-en-1-one
316.30
2.6
3
6
96.22
5
Ethyl vinyl sulfide
88.17
1.7
0
1
25.3
2
Divinyl sulfide
86.16
1.9
0
1
25.3
2
4-Isobutylphenol
150.22
3.4
1
1
20.23
2
5-Hexenenitrile
95.14
1.4
0
1
23.79
3
3-O-methyl droserone
218.20
2.3
1
4
63.6
1
1,2,5-Trihydroxy-3-methylanthracene-9,10-dione
270.24
3.3
3
5
94.83
0
Dotetracontane
591.10
22.3
0
0
0
39
(2S)-flavan
210.27
3.8
0
1
9.23
1
5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
464.40
0.4
8
12
210.51
4
Butyl 3-(2,4-dihydroxy-5-methoxyphenyl)propanoate
268.30
2.5
2
5
75.99
8
(3aR,8R,8bS)-8-(hydroxymethyl)-8-methyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
346.40
1.3
1
6
82.06
3
Ethyl undecanoate
214.34
5.1
0
2
26.3
11
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid
368.30
-0.1
5
9
153.75
6
[(2R)-2,3-di(octadeca-9,12-dienoyloxy)propyl] octadec-9-enoate
881.40
21
0
6
78.9
51
Dimethyl adipate
174.19
1
0
4
52.6
7
5-Methyl-1-hexanol
116.20
2.1
1
1
20.23
4
(12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
226.32
2.8
1
1
19.03
0
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6S)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 3,4-dimethylpent-2-enoate
1067.30
4.1
4
19
235.05
17
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