engleski

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 "shake-flask" method and calculated using nine different computer programs: based on atom contributions, based on atom/fragment contributions, based on 13 structural parameters, based on fragmental contributions, based on atom-type electrotopological-state indices and neural network modeling, and based on topological structure descriptors. Our analysis demostrates perfect agreement between experimentally observed log P value of salicylamide and calculated value by CSLogP program, based on topological structure descriptors and electrotopological indices.

computer modeling; lipophilicity; log P; salicylamide

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