Research Article

In Silico, SwissADME, and DFT Studies of Newly Synthesized Oxindole Derivatives Followed by Antioxidant Studies

Table 2

The physicochemical property of oxindole (C-1 and C-2) derivatives calculated with the SwissADME database.

LigandsMolecular formulaMW (g/mol)nHAnAHAF.Csp3nRBnHBAnHBDMRTPSA (A2)

C-1C15H8Cl3NO324.5920120.0011187.1729.10
C-2C15H8Cl3NO324.5920120.0011187.1729.10

MW: molecular weight; nHA: no. of heavy atom; nAHA: no. of arom. heavy atom; F.Csp3: no. of sp3 hybridized carbon out of total carbon count; nRB: no. of rotatable bonds; nHBA: no. of H-bond acceptors; nHBD: no. of H-bond donors, MR: molar refractivity; TPSA: topological polar surface area.