TABLE 3.

Relative cluster ranks and free energies of binding of selected docking modes.

No	Compounds	No of AutoDock cluster	Cluster rank of selected docked structure	Docked free energy range of docked structures	Docked free energy of selected docked structure
(1)	ZINC32960814	38 (100)	5	−12.61 to −11.96	−12.61
(2)	ZINC12006217	44 (100)	3	−12.32 to −9.94	−12.32
(3)	ZINC03231196	20 (100)	2	−12.01 to −10.31	−12.01
(4)	ZINC33173588	25 (100)	5	−11.92 to −9.04	−11.92