Acta Pharm. 54 (2004) 91-101

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Original research paper  
 

Lipophilicity study of salicylamide

MARICA MEDIC-SARIC, *  ANA MORNAR  and IVONA JASPRICA2

bebamms@pharma.hr

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