Alternatived Products of [ 14280-01-4 ]
Product Details of [ 14280-01-4 ]
CAS No. : | 14280-01-4 |
MDL No. : | MFCD00235873 |
Formula : |
C14H21ClN2O3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | VWDOEXQMKZJMLD-YDALLXLXSA-N |
M.W : |
300.78
|
Pubchem ID : | 14779573 |
Synonyms : |
|
Calculated chemistry of [ 14280-01-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
20 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.43 |
Num. rotatable bonds : |
9 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
79.24 |
TPSA : |
81.42 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.95 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
1.67 |
Log Po/w (WLOGP) : |
1.89 |
Log Po/w (MLOGP) : |
1.68 |
Log Po/w (SILICOS-IT) : |
1.72 |
Consensus Log Po/w : |
1.39 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-2.38 |
Solubility : |
1.24 mg/ml ; 0.00412 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-2.99 |
Solubility : |
0.305 mg/ml ; 0.00101 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-3.79 |
Solubility : |
0.0493 mg/ml ; 0.000164 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.38 |
Categories