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. 2018 May 18;23(5):1209. doi: 10.3390/molecules23051209

Table 5.

Selected in silico ADME profiling for molecules 2 and 3 a.

Compound Absorption Distribution
HIA (%) In Vitro Caco-2 Cell Permeability (nm s−1) In Vitro PPB (%) In Vivo BBB Penetration (Cbrain/Cblood)
2 100.0 57.31 94.39 2.01
3 95.86 36.43 100 0.57
4 95.30 26.33 67.75 0.77

a The properties related to ADME were predicted using PreADMET web-based application (http://preadmet.bmdrc.kr).