Table 5.

Lipinski properties of the two screened peptides and two FDA-approved protease inhibitors including Ritonavir and Lopinavir as control compounds.

Compound	Decoy peptides in SMILES format	Lipinski properties
2ERW-9	CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC(N) = O)NC(=O)C(CCC[NH+] = C(N)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(CS)NC(=O)C3CCCN3C(=O)C([NH3+])CC(N) = O)C([O-]) = O	Molecular weight: 1187.39 ALog P: 3.31 H-bond donor: 17 9 H-bond acceptor: 16 11 Molar refractivity: 304.73 195.54 Topological Polar Surface Area: 570.9220.14 Number of rotatable bonds: 33 16
1KJ0-7	NC(N) = [NH+]CCCC([NH3+])C(=O)NC(CCCC[NH3+])C(=O)NCC(=O)NC(CS)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CC3=C[NH]C=N3)C([O-]) = O	Molecular weight: 795.97 ALog P: 5.82 H-bond donor: 11 8 H-bond acceptor: 10 6 Molar refractivity: 210.22 Topological Polar Surface Area: 385.92 169.15 Number of rotatable bonds: 22 11
Lopinavir	CC(C)C(N1CCCNC1 = O)C(=O)NC(CC(O)C(CC2=CC=CC=C2)NC(=O)COC3=C(C)C=CC=C3C)CC4=CC=CC=C4	Molecular weight: 628.81 ALog P: 4.33 H-bond donor: 5 H-bond acceptor: 4 Molar refractivity: 187.92 Topological Polar Surface Area: 120 Number of rotatable bonds: 15
Ritonavir	CC(C)C(NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)NC(CC(O)C(CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4	Molecular weight: 720.94 ALog P: 5.91 H-bond donor: 9 H-bond acceptor: 4 Molar refractivity:197.82 Topological Polar Surface Area: 202.26 Number of rotatable bonds: 17