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The traditional form of development and investigation off the antimicrobial has been resulting inefficient according to the delay of the new candidates discovery in the last years. Several limitations have been demonstrated, such as the long time invested, the expensive experimental trials or the errors in the manipulation of the researcher. To solve this problem, the application of computational methods in the design of drugs raised as a promised alternative. Specifically, the QSPR studies are oriented to determine the functions that capable to predict a particular property of a compound, using the information contained in their molecular descriptors. This strategy allowed analyzing a great quantity of molecules in a minor time and with less resources. Five specific models were defined in the present work in order to predict the interested physicochemical properties (aqueous solubility (S), partition coefficient (P), distribution constant (D), acid dissociation constant (𝐾𝐾 𝑎𝑎 ) and superficial tension (σ)) for the external use only of a series of 400 antimicrobial compounds, with simplified representations, physicochemical properties and