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 |
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.