Acta Pharm. 54 (2004) 91-101[ Full paper in PDF ]
Molecular lipophilicity was studied using salicylamide as a model drug. Log P value for the target compound was experimentally determined by the "shake-flask" method and calculated using nine different computer programs based on atom/fragment contributions, structural parameters, atom-type electrotopological-state indices and neural network modeling, and on topological structure descriptors. Our analysis demonstrates good agreement between the experimentally observed log P value of salicylamide and the value calculated by the CSLogP program, based on topological structure descriptors and electrotopological indices.
Keywords: lipophilicity, salicylamide, log P, computer modeling