Table 4 |
||||
|
Lipinski properties of the docked ligands |
||||
|
Molecules |
Mw |
LogP |
H-donor |
H-acceptor |
|
|
||||
|
Dithionitrobenzoic acid |
396.354 |
3.5 |
2 |
8 |
|
NSC695265 |
364.288 |
3.2 |
2 |
8 |
|
Thionitrobenzoic acid |
199.185 |
1.9 |
1 |
4 |
|
2-nitro-5-thiocyanobenzoic acid |
224.193 |
1.5 |
1 |
5 |
|
2-nitro-5-sulfo-sulfonyl-benzoic acid |
279.247 |
0.3 |
2 |
7 |
|
NSC517871 |
396.351 |
3.5 |
2 |
8 |
|
|
||||
|
Gowthaman et al. BMC Bioinformatics 2008 9(Suppl 12):S14 doi:10.1186/1471-2105-9-S12-S14 |
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