Acta Pharm. 54 (2004) 91-101

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Original research paper  

Lipophilicity study of salicylamide


Department of Pharmaceutical Chemistry, Faculty of Pharmacy and Biochemistry, University of Zagreb, Croatia
Received January 27, 2004      Accepted March 17, 2004

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