Chemical Structure-Related Drug-Like Criteria of Global Approved Drugs.

ABSTRACT: The chemical structure of a drug determines its physicochemical properties, further determines its ADME/Tox properties, and ultimately affects its pharmacological activity. Medicinal chemists can regulate the pharmacological activity of drug molecules by modifying their structure. Ring systems and functional groups are important components of a drug. The proportion of non-hydrocarbon atoms among non-hydrogen atoms reflects the heavy atoms proportion of a drug. The three factors have considerable potential for the assessment of the drug-like properties of organic molecules. However, to the best of our knowledge, there have been no studies to systematically analyze the simultaneous effects of the number of aromatic and non-aromatic rings, the number of some special functional groups and the

SUBMITTER: Mao F 

PROVIDER: S-EPMC6273477 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature