Alternatived Products of [ 3147-75-9 ]
Product Details of [ 3147-75-9 ]
CAS No. : | 3147-75-9 |
MDL No. : | MFCD00013338 |
Formula : |
C20H25N3O
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | IYAZLDLPUNDVAG-UHFFFAOYSA-N |
M.W : |
323.43
|
Pubchem ID : | 62485 |
Synonyms : |
|
Calculated chemistry of [ 3147-75-9 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
24 |
Num. arom. heavy atoms : |
15 |
Fraction Csp3 : |
0.4 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
99.13 |
TPSA : |
50.94 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-3.05 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.87 |
Log Po/w (XLOGP3) : |
7.35 |
Log Po/w (WLOGP) : |
4.84 |
Log Po/w (MLOGP) : |
3.46 |
Log Po/w (SILICOS-IT) : |
3.9 |
Consensus Log Po/w : |
4.69 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-6.67 |
Solubility : |
0.0000685 mg/ml ; 0.000000212 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-8.25 |
Solubility : |
0.00000183 mg/ml ; 0.0000000056 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-6.07 |
Solubility : |
0.000275 mg/ml ; 0.000000851 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.67 |