Drug potency and toxicity are optimised using physio-chemical properties data . I In recent years, researchers have used these properties to explore and compare the chemical diversity and space of databases like NuBBEDB, the first Brazilian biodiversity library of natural products and food chemical databases . Exploratory data analysis for large-scale chemical space exploration and DPP4 inhibitor QSAR uses physicochemical properties . Descriptive statistics of physicochemical properties were used to study the structural diversity and chemical space of DNA methyltransferases inhibitors, which are more polar than clinical trial drugs and molecules . Overall, the analysis of physico-chemical properties can provide critical information for the design of dual inhibitors and the generation of focused libraries based on overlapping properties.