Alternatived Products of [ 129101-54-8 ]
Product Details of [ 129101-54-8 ]
CAS No. : | 129101-54-8 |
MDL No. : | MFCD03700731 |
Formula : |
C18H28N2O8
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
400.42
|
Pubchem ID : | - |
Synonyms : |
SDZ-ENA 713;ENA 713;Exelon;Rivastigmine (tartrate)
|
Calculated chemistry of [ 129101-54-8 ]
Physicochemical Properties
Num. heavy atoms : |
28 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
9 |
Num. H-bond acceptors : |
9.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
100.33 |
TPSA : |
147.84 Ų |
Pharmacokinetics
GI absorption : |
Low |
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) : |
-10.07 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.02 |
Log Po/w (XLOGP3) : |
-1.87 |
Log Po/w (WLOGP) : |
0.31 |
Log Po/w (MLOGP) : |
0.0 |
Log Po/w (SILICOS-IT) : |
1.46 |
Consensus Log Po/w : |
0.58 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-0.71 |
Solubility : |
78.2 mg/ml ; 0.195 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.72 |
Solubility : |
77.1 mg/ml ; 0.193 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-3.15 |
Solubility : |
0.281 mg/ml ; 0.000701 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
3.92 |
Safety of [ 129101-54-8 ]