Table 5. Chemical structure of newly designed molecules and their predicted pIC₅₀ based on CoMFA and CoMSIA 3D-QSAR models .

No	Structure								Predicted pLC 50
	R 1	R 2	R 3	R 4	R 5	R 6	R 7	R8	CoMFA	CoMSIA
A1	-	O	CONH2	Me	Cl	Me	Me	OH	3.28	3.37
A2	-	O	OMe	Me	Cl	Me	Me	OH	2.98	2.26
A3	-	O	COMe	Me	Cl	Me	Me	OH	2.85	2.27
A4	-	O	CF3	Me	Cl	Me	Me	OH	2.29	2.58