| Classification | Parameters |
| Physicochemical properties | Formula, molecular weight, number of heavy atoms, number of aromatic heavy atoms, fraction Csp3, number of rotatable bonds, number of H-bond acceptors, number of H-bond donors, molar refractivity, and topological polar surface area (TPSA) | Lipophilicity | Log Po/w (iLOGP), log Po/w (XLOGP3), log Po/w (WLOGP), log Po/w (MLOGP), log Po/w (SILICOS-IT), and consensus log Po/w | Water solubility | Log S (ESOL), log S (Ali), and log S (SILICOS-IT) | Pharmacokinetics | GI absorption, BBB permeant, P-gp substrate, CYP1A2 inhibitor, CYP2C19 inhibitor, CYP2C9 inhibitor, CYP2D6 inhibitor, CYP3A4 inhibitor, and log Kp (skin permeation) | Drug-likeness | Lipinski, Ghose, Veber, Egan, Muegge, and bioavailability score | Medicinal chemistry | PAINS, Brenk, lead-likeness, and synthetic accessibility |
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