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. 2021 Feb 11;22(4):1802. doi: 10.3390/ijms22041802

Table 2.

Drugability assessment of complexes 1, 2 and 3 based on structure–activity relationship analysis (tPSA–topological polar surface area; XLOGP3—lipophilicity; BBBperm—blood–brain barrier permeability; Pgpsub—p glycoprotein substrate; CYP—cytochrome P450 inhibitor (CYP1A2, CYP2C19, CYP2C9, CYP2D6, CYP3A4); Lipinskiviol—number of violations from Lipinski rule of five).

Compound tPSA [Å2] XLOGP3 CYPinh Lipinskiviol
1 45.36 14.43 No 3
2 37.95 9.03 No 2
3 146.9 6.3 No 1