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. Author manuscript; available in PMC: 2022 Feb 25.
Published in final edited form as: J Mol Struct. 2021 Sep 3;1247:131425. doi: 10.1016/j.molstruc.2021.131425

Table 2.

Predicted ADMET properties for Analog 2 and Donepezil

Compound BBB Score No. of HBA No. of HBD Molecular Weight cLogP PSA No. of Rotatable Bonds HALF-LIFE (hours) hERG Tox Score Tox Groups LD50 (mg/kg)
Analog 2 4.93 6 0 380.488 3.17 41.91 6 6.72 0.54 0 N/A 412
Donepezil 5.28 5 0 379.500 4.46 32.39 6 6.72 0.45 0 N/A 344