Lipophilicity study of salicylamide.
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, or 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.
Department of Medicinal Chemistry, Faculty of Pharmacy and Biochemistry, University of Zagreb, Croatia. bebamms@pharma.hr
Marica
M
Medić-Sarić
Ana
A
Mornar
Ivona
I
Jasprica
D003198:Computer Simulation; D050356:Lipid Metabolism; D008956:Models, Chemical; D012457:Salicylamides / Q000737:chemistry / Q000378:metabolism*
D012457:Salicylamides; C031060:salicylamide