TABLE 6.

Predicted drug-likeness, medicinal chemistry, and pharmacokinetic properties of the substituted quinazolin-4(3H)-one motifs, determined using ADMETLAB.

Sample code	RB	HBA	HBD	MR	TPSA	c Log P	QED	SA	Lipinski rule	Pfizer rule	GSK rule	GIA	BBB permeant	Pgp substrate
3a	2	3	0	80.4	47.25	2.91	0.667	1.970	ACPT	RJCT	ACPT	High	Yes	No
3b	3	5	0	89.22	93.07	2.18	0.422	2.227	ACPT	ACPT	ACPT	High	No	No
3c	2	3	0	85.41	47.25	3.45	0.682	2.097	ACPT	RJCT	ACPT	High	Yes	No
3d	3	4	0	86.89	56.48	2.93	0.697	2.063	ACPT	RJCT	ACPT	High	Yes	No
3e	2	4	1	82.43	67.48	2.53	0.732	2.167	ACPT	ACPT	ACPT	High	Yes	No
3f	2	3	0	85.41	47.25	3.45	0.682	2.032	ACPT	RJCT	ACPT	High	Yes	No
3g	3	3	0	94.61	50.49	2.94	0.699	2.170	ACPT	RJCT	ACPT	High	Yes	No
3h	2	4	1	82.43	67.48	2.51	0.732	2.115	ACPT	ACPT	ACPT	High	Yes	No
3i	3	3	0	90.18	47.25	3.57	0.696	2.058	ACPT	RJCT	ACPT	High	Yes	No
3j	3	4	0	86.89	56.48	2.93	0.697	2.011	ACPT	RJCT	ACPT	High	Yes	No
3k	4	4	0	91.7	56.48	3.24	0.696	2.054	ACPT	RJCT	ACPT	High	Yes	No
3l	3	5	1	88.92	76.71	2.5	0.753	2.181	ACPT	ACPT	ACPT	High	Yes	No
3m	3	3	0	77.45	72.55	2.62	0.795	2.853	ACPT	ACPT	ACPT	High	Yes	No

RB: rotatable bond; HBA: hydrogen bond acceptor; HBD: hydrogen bond donor; MR: molar refractivity; TPSA: topological polar surface area; ACPT: accept; RJCT: reject; QED: measure of drug-likeness; SA: synthetic accessibility score; GIA: gastro-intestinal absorption; BBB: blood–brain barrier; Pgp substrate: P-glycoprotein.