Computational Evaluation of the Inhibition Efficacies of HIV Antivirals on SARS-CoV-2 (COVID-19) Protease and Identification of 3D Pharmacophore and Hit Compounds

Table 3

Lipinski parameters of J4-1 and J4-2 group molecules.

Property	38143759	67903263	16384777	32953984	33130718	33130747	33130768
M. mass	564	534	451	392.5	372	406.5	390
HBD	10	9	8	3	3	3	3
HBA	14	13	12	5	5	5	5
LogP	−1.91	−1.27	−1.01	5.54	5.19	5.84	5.33
M. ref	130.25	124.24	108.32	112.18	111.90	116.91	111.86

M. mass = molecular mass, HBD = hydrogen bond donor, HBA = hydrogen bond acceptor, P = partition coefficient, and M. ref = molar refractivity.