Table 1.

Drug likeliness properties by SwissADME, Osiris and Molinspiration.

Drug likeness properties	Paxlovid	CMA1	CMA3
Bioavailability and drug-scorea
Molecular weight g/mol	498.53	730.60	864.71
cLogP	0.98	−9.49	−10.73
Solubility	−3.69	2.19	2.36
TPSA	131.4	396.4	455.3
Drug likeness	−36.55	−4.85	−4.82
Drug-score	0.12	0.27	0.26
Drug likenessb
GPCR ligand	0.06	−0.15	−1.51
Ion channel modulator	−0.12	−1.10	−2.86
Kinase inhibitor	−0.22	−0.86	−2.54
Nuclear receptor ligand	−0.21	−0.85	−2.62
Protease inhibitor	0.45	0.14	−0.94
Enzyme inhibitor	0.03	−0.05	−1.67
Pharmacokineticsc
GI absorption	High	Low	Low
BBB permeant	No	No	No
P-gp substrate	Yes	Yes	Yes
CYP1A2 inhibitor	No	No	No
CYP2C19 inhibitor	No	No	No
CYP2C9 inhibitor	No	No	No
CYP2D6 inhibitor	No	No	No
CYP3A4 inhibitor	No	No	No
Medicinal chemistryc
PAINS	0	0	0
Brenk	1	0	0
Lead-likeness	No	No	No
Synthetic accessibility	3.79	6.28	6.86

GI: gastrointestinal absorption; BBB: blood brain barrier; P-gp: permeability glycoprotein; CYP: cytochrome P450.

^aOsiris.

^bMolinspiration.

^cSwissADME.