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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
(6R,8S)-tricosane-6,8-diol
356.60
9.4
2
2
40.46
20
Isothymonin
360.30
2.6
3
8
118.59
4
12-Methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
363.40
4.1
0
6
49.39
1
Isomitraphylline
368.40
1.6
1
5
67.87
2
(5E)-3-methyl-5-[4-[(2S)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidin-1-yl]butylidene]furan-2-one
317.40
2.7
0
5
55.84
5
[2-[2-(acetyloxymethyl)oxiran-2-yl]-4-hydroxy-5-methylphenyl] (Z)-2-methylbut-2-enoate
320.30
2.1
1
6
85.36
7
Ovalitenin C
322.30
3.9
0
5
57.9
4
Ovalifoliolatin A
324.40
3.6
1
4
55.76
1
Galactinol
342.30
-5.3
9
11
200.53
3
(7R,8aR)-5-[[(4R,6R,8S,9aR)-6,8-dimethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl]methyl]-1,7-dimethyl-3,4,6,7,8,8a-hexahydro-2H-quinoline
344.60
4.6
0
2
6.48
2
(2R,3R,4S,5S,6R)-2-[(1R,2S,5R)-5-[(2S)-1,2-dihydroxypropan-2-yl]-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
350.40
-1.2
6
8
139.84
5
(2S)-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
368.40
3.7
1
5
64.99
6
euglobal IIC
386.50
5.4
2
5
83.83
5
(1S,3S,5S,6S,9R,10S)-10-hydroxy-1',6'-dimethoxy-1-propanoylspiro[7-oxa-2-azatricyclo[4.3.1.03,9]decane-5,3'-indole]-2'-one
388.40
0.3
2
7
97.33
4
(2R,3R,4S,5S,6R)-2-[[(2S,6S,7aR)-2-[(1R)-1-hydroxyethyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
388.50
-0.7
5
8
128.84
4
11-Butyl-2,7-dihydroxybenzo[b]triphenylene-9,14-dione
396.40
6.5
2
4
74.6
3
1-[(2R,3R,4R,5R)-2-[(7S,8S)-7,8-dihydroxy-8-[(2R)-piperidin-2-yl]octyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone
402.50
0
6
7
133.49
10
(2S,3R,4S)-3-ethenyl-4-(2-methoxy-2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
404.40
-1.6
5
11
172.21
8
(+/-)-nicolaioidesin C
406.50
6.1
2
4
66.76
7
4-Methyl-6-hepten-3-one
126.20
2
0
1
17.07
4
Scopadulcic acid B
438.60
5.2
1
5
80.67
4
Bisabolol oxide B
238.37
2.5
1
2
29.46
2
Cyclohexanol, 1-methyl-4-(1-methylethyl)-, 1-acetate
198.30
3.2
0
2
26.3
3
(1R,2R,5S,8S,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-12-ene-9-carboxylic acid
492.50
-0.4
5
10
162.98
4
galloyl(-3)Glc(b)-O-coumaroyl(3-OH)
494.40
0.5
8
13
223.67
8
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