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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
[(3aR,4aS,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-2,7-dioxo-3a,4,4a,8,9,9a-hexahydrobenzo[f][1]benzofuran-8-yl] acetate
304.34
1.8
0
5
69.67
2
Sucrose 1'-benzoate
446.40
-2
7
12
195.6
8
(10E,12E,14R)-14-hydroxy-9-oxooctadeca-10,12-dienoic acid
310.40
3.8
2
4
74.6
14
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1S,2S)-2-hydroxy-1-methyl-4-propan-2-ylcyclohex-3-en-1-yl]oxyoxane-3,4,5-triol
332.39
-0.7
5
7
119.61
4
5-hydroxy-2-(3-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
432.40
0.9
6
10
170.05
4
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-2-(4-hydroxy-3-methoxyphenyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
538.50
-0.3
7
12
187.76
9
(1S,4S,5R,8S,13S,14R,16S,18S)-11-[2-[[(1S,5R,9R,13R,14R,15R,16R)-7-ethyl-14-hydroxy-5-methyl-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadec-11-en-12-yl]methoxy]ethyl]-5-methyl-17-methylidene-9-oxa-11-azahexacyclo[14.2.2.01,14.04,13.05,10.08,13]icosan-18-ol
685.00
5.8
2
6
65.4
6
(2R,3R,4S,5S,6R)-2-[[(1R,2R,4aR,10aS)-8-ethenyl-2,6-dihydroxy-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
478.60
2.4
6
8
139.84
5
Cis-7-chloro-4-hydroxymellein
228.63
2
2
4
66.76
0
7-Chloromellein-5-ol
228.63
2.7
2
4
66.76
0
7-Chloroscytalone
228.63
1.5
3
4
77.76
0
[(1S,2R,3E,5R,7S,9E,11S,14S,15R,16S)-16-benzyl-5-hydroxy-13-(hydroxymethyl)-5,7,14-trimethyl-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-2-yl] acetate
507.60
2.6
3
6
112.93
5
Crotophorbolone
346.40
0.5
3
5
94.83
2
[3-(5,7-Dihydroxy-4-oxochromen-2-yl)phenyl] heptacosanoate
662.90
15.1
2
6
96.97
28
5-formyl-2-methoxyphenyl beta-D-glucopyranoside
314.29
-1.6
4
8
125.68
5
Caffeic acid 3-sulfate
260.22
0.6
3
7
129.51
4
(4S,4aS,7S)-4-hydroxy-4a-methyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde
234.33
2.6
1
2
37.3
2
(1R,4aS,5S,8R,8aR)-5-methyl-2-methylidene-8-propan-2-yl-1,3,4,4a,6,7,8,8a-octahydronaphthalene-1,5-diol
238.37
2.4
2
2
40.46
1
methyl (1S,4aS,5S,7aS)-7-(hydroxymethyl)-5-methoxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
418.40
-2.9
5
11
164.37
7
(1R,4R)-3,3,5-trimethyl-2-oxabicyclo[2.2.2]oct-5-en-4-ol
168.23
0.5
1
2
29.46
0
(1R,4R)-4-methoxy-3,3,5-trimethyl-2-oxabicyclo[2.2.2]oct-5-ene
182.26
1.1
0
2
18.46
1
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4aR,6aR,6aS,6bR,8aR,9S,10R,11R,12aS,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylate
680.80
1.6
8
12
214.44
5
3-[(1S,4R,5R,6S,9R)-5,10-dimethyl-4-prop-1-en-2-yl-5-tricyclo[7.2.1.01,6]dodec-10-enyl]propanoic acid
302.50
5.4
1
2
37.3
4
(6R)-6-[(1S,3R,6S,8R,10S,11S,12S,14S,15R,16R)-6,14-dihydroxy-7,7,12,16-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-hydroxy-2-methylheptan-3-one
652.90
2.9
7
10
177.14
8
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,10S,11S,12S,14S,15R,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-6,14-dihydroxy-7,7,12,16-tetramethyl-10-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
654.90
3
8
10
180.3
8
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