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. 2023 May 5;8(19):16630–16646. doi: 10.1021/acsomega.2c07361

Table 6. In Silico ADME Prediction of the Best Three Chemical Analogues.

s. no. PubChem CID M.W (g/mol) no. of H-bond acceptors and donors M.R C log Po/w solubility GIA B3P CYP3A4 inhb P-gpS Lipinski’s (violations) Veber’s (violations) B.S
1 132582306 487.55 05 01 146.60 2.24 moderate high no yes yes yes yes 0.55
2 11260294 486.70 04 02 141.24 2.22 poor high no no no yes (1) yes 0.55
3 44440845 448.42 10 05 107.72 1.87 soluble low no no yes yes no (1) 0.55