A simple model for the prediction of corneal permeability

Abstract

We derive a simple model for the prediction of corneal permeability of 30 miscellaneous compounds using three descriptors: log P=−5.566 Q H 2+3.027 Q H −0.155 Q O, N −9.413×10 −4 V−4.278 (n=30, r=0.921) . P is the permeability coefficient across excised rabbit cornea (cm/s), Q O,N is the sum of the absolute values of the net atomic charges of oxygen and nitrogen atoms, Q H is the sum of net atomic charges of hydrogen atoms attached to these heteroatoms, and V is the molecular volume. These descriptors can be easily obtained from quantum chemical calculation. The model is suitable for the rapid prediction of the corneal permeability of drugs.