Alternatived Products of [ 79992-76-0 ]
Product Details of [ 79992-76-0 ]
CAS No. : | 79992-76-0 |
MDL No. : | MFCD00142910 |
Formula : |
C12H22MgO4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | JOADGALWHMAAKM-UHFFFAOYSA-L |
M.W : |
254.61
|
Pubchem ID : | 21910005 |
Synonyms : |
|
Calculated chemistry of [ 79992-76-0 ]
Physicochemical Properties
Num. heavy atoms : |
17 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.83 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
61.57 |
TPSA : |
80.26 Ų |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-5.56 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-50.39 |
Log Po/w (XLOGP3) : |
3.23 |
Log Po/w (WLOGP) : |
0.34 |
Log Po/w (MLOGP) : |
2.13 |
Log Po/w (SILICOS-IT) : |
0.76 |
Consensus Log Po/w : |
-8.79 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.06 |
Solubility : |
0.223 mg/ml ; 0.000876 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-4.59 |
Solubility : |
0.00657 mg/ml ; 0.0000258 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-0.83 |
Solubility : |
37.5 mg/ml ; 0.147 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
1.72 |