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. 2021 Oct 22;9:736509. doi: 10.3389/fchem.2021.736509

TABLE 3.

Summary of molecular descriptors and partitioning coefficients (logBB) determined for lead compounds (drugs) with highest Aβ inhibition properties.

Compound MW AlogP HBA HBD PSA QED logBBcl logBBri logBBexp
Menadione 253.25 0.98 4 0 88.18 0.76 −1.02 −0.57
Camphotamide 231.29 1.14 3 0 71.11 0.69 −0.74 −0.37
TRA 138.17 −0.91 3 1 80.06 0.58 −1.18 −0.78
Donepezil 379.5 4.36 4 0 38.77 0.72 0.23 0.45 0.89