Alternatived Products of [ 26462-22-6 ]
Product Details of [ 26462-22-6 ]
CAS No. : | 26462-22-6 |
MDL No. : | MFCD00190933 |
Formula : |
C12H24N2O3
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | JWBXCSQZLLIOCI-GUBZILKMSA-N |
M.W : |
244.33
|
Pubchem ID : | 7019083 |
Synonyms : |
|
Calculated chemistry of [ 26462-22-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
17 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.83 |
Num. rotatable bonds : |
8 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
67.28 |
TPSA : |
92.42 ?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) : |
-9.0 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.38 |
Log Po/w (XLOGP3) : |
-1.71 |
Log Po/w (WLOGP) : |
0.98 |
Log Po/w (MLOGP) : |
0.89 |
Log Po/w (SILICOS-IT) : |
0.92 |
Consensus Log Po/w : |
0.49 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
0.25 |
Solubility : |
435.0 mg/ml ; 1.78 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
0.28 |
Solubility : |
468.0 mg/ml ; 1.92 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-1.45 |
Solubility : |
8.59 mg/ml ; 0.0352 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
2.87 |