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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
gamma-Caprolactone
114.14
0.7
0
2
26.3
1
Cycloartanol
428.70
10.2
1
1
20.23
5
(1S,3R,6S,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
428.70
10.2
1
1
20.23
5
(1S,3R,6S,8S,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2S)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
440.70
10.3
1
1
20.23
5
(1S,3R,6S,8R,11R,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
440.70
10.3
1
1
20.23
5
Hainanensine
299.32
1.6
1
5
59
0
Isopropylcyclohexane
126.24
4.3
0
0
0
1
Cyclooctanol
128.21
1.6
1
1
20.23
0
Galphimine B
516.70
3.9
3
7
113.29
3
2,10a-Dihydro-8,10a-dihydroxy-3,11-dimethyl-1H-cyclopent(b)anthracene-5,10-dione
308.30
1.1
2
4
74.6
0
Bungeiside C
430.40
-2.6
6
11
175.37
6
2,3,5-Trimethylphenol
136.19
2.7
1
1
20.23
0
Tetracenomycin F1
366.30
4.2
5
7
135.29
1
8-[(3,3-Dimethyloxiran-2-yl)methyl]-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
344.40
3.9
0
5
61.2
6
8-(2,3-Dihydroxy-3-methylbutyl)-7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
362.40
2.9
2
6
89.13
7
8-[(1S,5R,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
692.70
7.3
8
11
209.12
7
alpha-D-Xylofuranoside, methyl 2,3-di-O-methyl-
192.21
-0.9
1
5
57.15
4
delta-Octalactone
142.20
1.9
0
2
26.3
2
2-(1,3-Benzodioxol-5-yl)-5-methoxyfuro[2,3-h]chromen-4-one
336.30
3.4
0
6
71.04
2
Pongaglabol
278.26
3.8
1
4
63.58
1
Benzyl methyl disulfide
170.30
2.4
0
2
50.6
3
Irisoquin
406.60
9.5
1
4
63.6
18
(1R)-1,2,3,4,5,6-Hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
204.27
0.7
0
2
25.24
0
Pentamethylbenzene
148.24
4.6
0
0
0
0
Liriodendronine
263.25
1.3
2
4
70.16
0
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