COC1(C(=O)Nc2cncc3ccc(NS(C)(=O)=O)cc23)CCOc2ccc(Cl)cc21
COC1(C(=O)Nc2cncc3cc(NS(C)(=O)=O)ccc23)CCOc2ccc(Cl)cc21
CNS(=O)(=O)c1ccc2cncc(NC(=O)C3(OC)CCOc4ccc(Cl)cc43)c2c1
CNS(=O)(=O)c1ccc2c(NC(=O)C3(O)CCOc4ccc(Cl)cc43)cncc2c1
COC1(C(=O)Nc2cncc3ccc(-c4cn[nH]c4)cc23)CCOc2ccc(Cl)cc21
Sulfonamide, reversed sulfonamide and pyrazole are precedented to reduce rodent metabolism from search of MedChemica's ADMET rule database. Conformations and overlays with original crystal structure generated with RDKit and MMFF, clashed filtered from script by Lauren.Reid@medchemica.com. Positive intgeraction possible with Asn 142 and Glu 166. Crystal structure used is Mpro-P0157_0A_bound.pdb.