Drug-Likeness Score

A quantitative assessment of how closely a compound's physicochemical properties resemble those of known oral drugs. Scores are derived from property distributions (molecular weight, logP, HBD, HBA, rotatable bonds, TPSA) and structural features. Drug-likeness filtering is applied early in drug discovery to prioritize compounds with favorable oral bioavailability and developability profiles.

ตัวอย่าง

• Lipinski Rule of Five — MW<500, logP<5, HBD<5, HBA<10
• QED (Quantitative Estimate of Drug-likeness) — desirability score 0-1
• Veber rules — rotatable bonds <=10, TPSA <=140 A^2 for oral bioavailability