weight, polar surface area, and number of hydrogen bond donors and acceptors. The higher the QED value, the more drug-like the molecule is judged to be. The target range of the QED was set to be greater than 0.8. • logP The octanol-water partition coefficient logP is defined as the normal logarithm of the ratio of the concentrations of molecules in the organic and aqueous layers at equilibrium. According to Lipinski's rule of five , the target range of logP was defined as not exceeding 5. Computational models of these two properties are implemented in the modules of RDKit .