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. 2021 May 10;9:672503. doi: 10.3389/fchem.2021.672503

Table 7.

Physicochemical Molinspiration bioactivity score.

Compound GPCR ligand Ion channel modulator Kinase inhibitor Nuclear receptor ligand Protease inhibitor Enzyme inhibitor
8b 0.04 −0.07 0.59 −0.18 −0.25 0.16
9b 0.00 −0.12 0.37 −0.12 −0.23 0.03
10b 0.08 −0.10 0.59 −0.27 −0.15 0.16
12a −0.28 −0.34 −0.00 −0.82 −0.61 −0.12
12b 0.02 −0.11 0.41 −0.25 −0.25 0.11
12c 0.00 −0.19 0.42 −0.10 −0.27 0.04
14d −0.20 −0.27 −0.13 −0.51 −0.49 0.07
14e 0.01 −0.13 −0.04 −0.64 0.06 0.06
14f −0.21 −0.33 −0.06 −0.62 −0.09 0.04
16d 0.08 −0.15 0.21 0.24 −0.15 0.11