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. 2020 Sep 25;10(58):35516–35530. doi: 10.1039/d0ra03997g

ADME profile of compoundsa.

SN log P TPSA GI Abs BBB permeability Metabolism at the site of CYP450 Lip. vio TOX
1A2 C19 2C9 3A4 2D6
1 3.29 65.04 High Yes No No No 0.43 0.22 0 0.76
2 6.11 94.88 High No No Yes No 0.91 0.01 1 0.82
a

log P is the logarithm of the octanol–water partition coefficient; TPSA: total polar surface area; GI abs: gastrointestinal absorption; BBP: blood–brain barrier permeability; metabolism CYP450: the probability of metabolism on site of cytochrome-450; lip. vio: total number of violations of lipinski rule of five; tox: the probability of maximum toxicity of the compounds.