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