Table 5.

ADMET property analysis of lead ZINC ligand and reference molecule with (PDB ID:4FFS). Scores of Hit ZINC00490333 and reference molecule in bold

Zinc natural ligands	MW 130.0/725	MV 500.0/2000.0	HBD 0.0/6.0	HBA 2/20	Qplog Po/W − 2.0/6.5	QPP Caco < 25P/> 500G	QP logS − 6.5/0.5
ZINC00490333	246.314	797.018	2.000	6.000	0.558	178.838	− 0.891
ZINC00040150	235.245	755.982	3.000	6.000	− 0.084	235.070	− 2.259
ZINC15377615	236.319	805.625	4.000	6.000	− 0.169	52.133	− 1.121
ZINC14138066	238.292	792.910	4.000	7.700	− 0.925	54.215	− 0.736
ZINC15376886	222.292	688.456	3.000	5.200	0.404	299.207	− 2.209
4FFS	335.468	1121.17	4	6.7	1.64	63.475	− 2.648

MW—130.0/725, MV—500.0/2000.0, HBD—0.0/6.0, HBA-2/20, Qplog Po/W—2.0/6.5, QPP Caco—< 25P/> 500G, QPlogS—− 6.5/0.5