Alternatived Products of [ 6150-88-5 ]
Product Details of [ 6150-88-5 ]
CAS No. : | 6150-88-5 |
MDL No. : | MFCD00287279 |
Formula : |
C2H4MgO6
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | PJYWQDOJMBTCCO-UHFFFAOYSA-L |
M.W : |
148.35
|
Pubchem ID : | 516785 |
Synonyms : |
|
Calculated chemistry of [ 6150-88-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
9 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
17.48 |
TPSA : |
98.72 ?2 |
Pharmacokinetics
GI absorption : |
Low |
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) : |
-8.06 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-28.3 |
Log Po/w (XLOGP3) : |
-1.2 |
Log Po/w (WLOGP) : |
-3.64 |
Log Po/w (MLOGP) : |
-3.16 |
Log Po/w (SILICOS-IT) : |
-0.97 |
Consensus Log Po/w : |
-7.45 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
0.06 |
Solubility : |
171.0 mg/ml ; 1.15 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
-0.38 |
Solubility : |
62.0 mg/ml ; 0.418 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
1.47 |
Solubility : |
4380.0 mg/ml ; 29.5 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.57 |