Lipophilicity Measurement – Prediction and Impact

Abstract

In drug discovery, the most important single property of a molecule is lipophilicity, as it governs a myriad of physical and biological endpoints, and projects from hit-identification to candidate selection ignore this parameter at their peril. Consequently, accurate measurement is important to understand structure-activity relationships (SAR), and accurate prediction is necessary to focus synthetic plans. Together this lowers the project cost and reduces the timelines by limiting the number of compounds synthesised and increasing the probability of success.