In order to improve the deliverability of a drug substance in the lead optimization process, it is essential to relate changes in molecular properties to structural modifications. ACD/Structure Design Suite is a software tool that aids the medicinal chemist in this endeavor by combining our industry-standard physicochemical property predictors (pKa, logP, solubility) with a substituent database of drug-like moieties. Property-based design can now be carried out in minutes. Select ADME properties such as solubility and permeability can be modified by selecting the position at which substituents are to be modified, and choosing the property to be optimized.
