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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
Maritinamine
275.34
1.6
2
4
52.93
1
(E)-N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-phenylprop-2-enamide
283.32
2.1
3
3
69.56
5
13-Methoxy-2,15,17-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(18),3(8),4,6,11,13-hexaen-6-ol
286.28
3.2
1
5
57.15
1
Namonin A
1185.30
-1
8
26
359.34
16
[(2S,3R,4R,5S,6S)-5-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxyoxan-2-yl]oxy-6-methyl-2-[[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate
1239.50
6.7
9
25
353.27
25
[(2S,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate
1297.20
-2.9
15
33
500.95
28
(E)-3-methylsulfanylprop-2-enamide
117.17
-0.1
1
2
68.39
2
1,2-Dideuterio-3-methylindole
133.19
2.6
1
0
15.79
0
(2S)-2-(4-methylphenyl)propan-1-ol
150.22
2.9
1
1
20.23
2
2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde
150.22
2.1
0
1
17.07
1
[(3S)-octan-3-yl] acetate
172.26
3.4
0
2
26.3
7
6,7,8-Trihydroxy-2H-1-benzopyran-2-one
194.14
0.8
3
5
90.9
0
DL-Valine
117.15
-2.3
2
3
63.32
2
7-(Hydroxymethyl)-2-methylnaphthalene-1,4-dione
202.21
1.3
1
3
54.37
1
Feigrisolide A
202.25
0.7
2
4
66.76
2
trans-Bicyclogermacradiene
204.35
4.1
0
0
0
0
(7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-6-one
218.33
3.5
0
1
17.07
0
2-Methylbutyl formate
116.16
1.8
0
2
26.3
4
Hydron;2-hydroxypropanedioate
120.06
3
5
100.49
0
2-Carboxyphenolate;hydron
138.12
2
3
60.36
1
(1R,2R,3S,10S,13R)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-14-en-11-one
261.36
0.8
1
3
40.54
0
(1aR,2aS,6S,6aS)-6-hydroxy-1a-methyl-5-(4-methylpent-3-enyl)-2,2a,6,6a-tetrahydrooxireno[2,3-f][1]benzofuran-4-one
264.32
1.3
1
4
59.06
3
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
285.50
5.4
1
1
26.02
2
1-[(2e,4e,6e)-7-(2-Thienyl)-2,4,6-heptatrienoyl]piperidine
273.40
3.7
0
2
48.55
4
5-Hydroxy-2-[2-(2-hydroxyphenyl)ethyl]chromone
282.29
3.6
2
4
70.67
3
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