- Aromatic heavy atoms
- 9
- BBB permeant
- Yes
- Bioavailability Score
- 0.55
- Brenk violation count
- 0.0 alert
- CYP1A2 inhibitor
- Yes
- CYP2C19 inhibitor
- No
- CYP2C9 inhibitor
- No
- CYP2D6 inhibitor
- No
- CYP3A4 inhibitor
- No
- Egan violation count
- 0.0
- GI absorption
- High
- Ghose violation count
- None
- H-bond acceptors
- 1.0
- H-bond donors
- 1.0
- Heavy atoms
- 12
- Leadlikeness score
- 2.0
- Lipinski violation count
- 0.0
- LogP
- 3.67
- MLOGP
- 2.47
- Molar Refractivity
- 53.08
- Muegge violation count
- 0.0
- P-gp substrate
- Yes
- PAINS violation count
- 0.0 alert
- Rotatable bonds
- 0
- SILICOS-IT LogP
- 3.31
- Skin permeation coefficient (Log Kp)
- -5.15 cm/s
- Solubility
- 0.0218 mg/ml ; 0.0000975 mol/l
- Solubility (Ali)
- -3.83
- Solubility (ESOL)
- -4.01
- Solubility (SILICOS-IT)
- -4.14
- Synthetic accessibility
- 1.39
- TPSA
- 28.68 Ų
- Veber violation count
- 0.0
- XLogP3-AA
- 3.54
- iLOGP
- 0.0
- 外观
- 米白至浅棕色固体
- 水溶解性
- 微溶于甲醇
- 精确质量
- 221.951828
