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. 2021 Jan 23;9(1):14. doi: 10.1007/s40203-020-00067-6

Table 3.

Structure and BBB Permeation properties of, donepezil, elenbecestat genistin, naphthalen-2-yl-acetic acid, 6-hydroxy-6-methyl-cyclodecyl ester, narigin, orientin and vitexin

Compounds Murcko scaffold WLOGP TPSA (Å2) BBB permeation
graphic file with name 40203_2020_67_Figa_HTML.gif graphic file with name 40203_2020_67_Figb_HTML.gif 3.83 38.77 Yes
graphic file with name 40203_2020_67_Figc_HTML.gif graphic file with name 40203_2020_67_Figd_HTML.gif 3.35 127.79 No
graphic file with name 40203_2020_67_Fige_HTML.gif graphic file with name 40203_2020_67_Figf_HTML.gif 0.05 170.05 No
graphic file with name 40203_2020_67_Figg_HTML.gif graphic file with name 40203_2020_67_Figh_HTML.gif 5.18 46.53 Yes
graphic file with name 40203_2020_67_Figi_HTML.gif graphic file with name 40203_2020_67_Figj_HTML.gif − 1.49 225.06 No
graphic file with name 40203_2020_67_Figk_HTML.gif graphic file with name 40203_2020_67_Figl_HTML.gif − 0.53 201.28 No
graphic file with name 40203_2020_67_Figm_HTML.gif graphic file with name 40203_2020_67_Fign_HTML.gif − 0.23 181.05 No

TPSA topological polar surface area , WLOGP lipophilicity