Table 3.

Docking score and functional parameters of all 18 molecules including Chloroquine and Hydroxychloroquine with coronavirus SARS Spike Glycoprotein - human ACE2 complex (PDB ID: 6CS2).

Ligand	DockScore	LipophilicEvdW	PhobEnHB	HBond	Electro	LowMW
CQD-15	−6.47	−3.77	−1.37	−1.25	−0.55	−0.12
CQD-14	−5.48	−3.74	−1.5	−1.28	−0.38	−0.13
CQD-16	−5.35	−3.32	−1.5	−2.2	−0.81	−0.12
CQD-11	−5.33	−4.56	−0.75	−0.7	−0.38	−0.18
CQD-12	−4.91	−3.21	−1.5	−0.94	−0.44	−0.17
CQD-13	−4.88	−3.93	0	−1.2	−0.39	−0.18
CQD-6	−4.78	−2.79	−1.5	−0.63	−0.34	−0.38
CQD-7	−4.68	−2.69	−1.5	−0.7	−0.22	−0.17
CQD-5	−4.44	−3.51	−0.75	−0.7	−0.49	−0.28
CQD-4	−4.06	−3.38	0	−0.7	−0.41	−0.38
CQD-9	−3.9	−3.38	0	−0.65	−0.32	−0.37
CQD-10	−3.7	−3.44	0	−0.11	−0.25	−0.38
CQD-2	−3.6	−3.53	0	0	−0.14	−0.32
Hydroxychloroquine	−3.6	−3.28	0	0	−0.19	−0.38
Chloroquine	−3.56	−3.48	0	0	−0.16	−0.43
CQD-1	−3.54	−3.62	0	0	−0.07	−0.17
CQD-3	−3.52	−3.62	0	0	−0.14	−0.37
CQD-8	−3.51	−3.81	0	0	−0.05	−0.32