Alternatived Products of [ 87178-63-0 ]
Product Details of [ 87178-63-0 ]
CAS No. : | 87178-63-0 |
MDL No. : | MFCD00039011 |
Formula : |
C11H21ClN2O3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | GZEPUBCBTCSTKP-OZZZDHQUSA-N |
M.W : |
264.75
|
Pubchem ID : | 77174772 |
Synonyms : |
|
Calculated chemistry of [ 87178-63-0 ]
Physicochemical Properties
Num. heavy atoms : |
17 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.82 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
71.33 |
TPSA : |
83.63 Ų |
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) : |
-8.6 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
-0.96 |
Log Po/w (WLOGP) : |
0.86 |
Log Po/w (MLOGP) : |
0.5 |
Log Po/w (SILICOS-IT) : |
0.2 |
Consensus Log Po/w : |
0.12 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.55 |
Solubility : |
75.2 mg/ml ; 0.284 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.31 |
Solubility : |
129.0 mg/ml ; 0.488 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-0.34 |
Solubility : |
120.0 mg/ml ; 0.454 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
2.66 |