- BBB permeant
- Yes
- Bioavailability Score
- 0.55
- Brenk
- 0.0 alert
- CYP1A2 inhibitor
- Yes
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Fraction Csp3
- 0.44
- GI absorption
- High
- Leadlikeness
- 1.0
- Lipinski
- 0.0
- Log K p (skin permeation)
- -6.17 cm/s
- Log S (Ali)
- -1.89
- Log S (ESOL)
- -2.01
- Log S (SILICOS-IT)
- -2.03
- LogP
- 1.62
- Molar Refractivity
- 46.75
- Muegge
- 1.0
- Num. H-bond acceptors
- 2.0
- Num. H-bond donors
- 0.0
- Num. arom. heavy atoms
- 5
- Num. heavy atoms
- 12
- Num. rotatable bonds
- 3
- P-gp substrate
- No
- PAINS
- 0.0 alert
- Synthetic accessibility
- 1.93
- Veber
- 0.0
- 密度
- 1.03±0.1 g/cm³ (Predicted)
- 拓扑极性表面积
- 31.23 Ų
- 水溶解性
- 1.64 mg/ml ; 0.00983 mol/l
- 沸点
- 253.6±20.0 °C (Predicted)
- 酸度系数(pKa)
- -5.66±0.70 (Predicted)
