Alternatived Products of [ 14296-92-5 ]
Product Details of [ 14296-92-5 ]
CAS No. : | 14296-92-5 |
MDL No. : | MFCD00057234 |
Formula : |
C12H20N2O5
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | CMSBRKBRYYDCFQ-QMMMGPOBSA-N |
M.W : |
272.30
|
Pubchem ID : | 11673468 |
Synonyms : |
|
Calculated chemistry of [ 14296-92-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
19 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.75 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
70.98 |
TPSA : |
95.94 ?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) : |
-7.56 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.07 |
Log Po/w (XLOGP3) : |
0.57 |
Log Po/w (WLOGP) : |
0.21 |
Log Po/w (MLOGP) : |
0.01 |
Log Po/w (SILICOS-IT) : |
-0.17 |
Consensus Log Po/w : |
0.54 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-1.43 |
Solubility : |
10.2 mg/ml ; 0.0376 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.16 |
Solubility : |
1.9 mg/ml ; 0.00696 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-0.77 |
Solubility : |
45.8 mg/ml ; 0.168 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
2.81 |