4.1. Pharmacokinetics, Drug-Likeness, and Medicinal Chemical Analyses

The drug-likeness, medicinal chemistry, and pharmacokinetics investigation examined the adsorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of NSC765689 as analyzed using SwissADME software developed by the Swiss Institute of Bioinformatics (http://www.swissadme.ch (accessed on 20 January 2021)) [49]. The drug-likeness properties were analyzed in terms of Ghose (Amgen), Egan (Pharmacia), Veber (GSK), and more importantly, the Lipinski (Pfizer) rule-of-five: cLogP, molecular mass, hydrogen acceptor, hydrogen donor, and molar refractive index [50] for drug likeness and drug discovery. The Abbot Bioavailability Score was calculated based on the probability of the compound to have at least 0.1 (10%) oral bioavailability in rats or measurable Caco-2 permeability [51], while gastrointestinal absorption and brain penetration properties were analyzed using the Brain Or IntestinaL EstimateD permeation (BOILED-Egg) model [32].