Lipinski's rule of five

Lipinski's rule of five describes the molecular properties of drug compounds based on important pharmacokinetic parameters such as absorption, metabolism, distribution, and excretion. The rule is helpful in the design and development of drugs.³³ The drug-likeness of the 18 phytochemicals of N. sativa included in the study was expected using the Lipinski rule of five. The online tool Molinspiration v2021.03 (“https://www.molinspiration.com/cgi-bin/properties”) was used to calculate the drug-likeness of phytochemicals and compared them with standard drugs. The drug-likeness was calculated using parameters such as the logarithm of the compound partition coefficient between n-octanol and water (log P 5), molecular weight (MW 500), number of hydrogen bond donors (NOHNH ≤ 5), hydrogen bond acceptor sites (NON ≤ 10), topological polar surface area (defined as a sum of surfaces of polar atoms in a molecule, TPSA ≤ 140 Ų), number of rotatable bonds (≤10). An orally active drug should not have more than one Lipinski violation to maintain its bioavailability.³⁴