Ligand-based drug design of quinazolin-4(3H)-ones as breast cancer inhibitors using QSAR modeling, molecular docking, and pharmacological profiling

Journal of the Egyptian National Cancer Institute

Table 7 Pharmacokinetic properties of the designed compounds

S/no	MW	HBA	HBD	mlogP	TPSA	ABS SCORE	SA	Lipinski violation
1	518.95	5	1	4.01	85.33	0.55	3.81	1
2	500.5	6	1	2.48	98.47	0.55	3.91	1
3	518.95	5	1	3.74	85.33	0.55	3.74	1
4	518.95	5	1	4.01	85.33	0.55	3.82	1
5	518.95	5	1	4.01	85.33	0.55	3.83	1
6	534.95	6	1	2.94	98.47	0.55	3.92	1
7	515.52	6	2	1.96	124.49	0.55	4.06	1

MW Molecular Weight, HBA Hydrogen Bond Acceptors, HBD Hydrogen Bond Donors, TPSA Topological Polar Surface Area, SA Synthetic Accessibility