Finding the Missing Property Concepts in Pesticide-Likeness

Poor bioavailability of pesticides is one of the major bottlenecks in the development of pesticides. Applications of the concept of pesticide-likeness have been widely accepted as one of the ways to break the bottleneck. At present, the evaluation of pesticide-likeness is mainly based on absorption, distribution, metabolism, excretion, and toxicity (ADME-T) property concepts of pesticides. However, a few significant property concepts of pesticides are ignored in the research of pesticide-likeness. Herein, we summarize the current study of ADME-T and other property concepts and analyze physicochemical properties for pesticides in the last 30 years, such as Fsp³, log P, and chiral centers. On the basis of these analyses, we propose that molecular complexity and residual property concepts of pesticides should be considered in the pesticide-likeness study. We hope that this work can help pesticide researchers and students, who are less knowledgeable in the field, to assess pesticide-likeness.