Alternatived Products of [ 336182-06-0 ]
Product Details of [ 336182-06-0 ]
CAS No. : | 336182-06-0 |
MDL No. : | MFCD01862848 |
Formula : |
C11H20N2O5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | DAUHTFNYHSOVRQ-ZETCQYMHSA-N |
M.W : |
260.29
|
Pubchem ID : | 2761810 |
Synonyms : |
|
Calculated chemistry of [ 336182-06-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
18 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.73 |
Num. rotatable bonds : |
9 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
64.18 |
TPSA : |
118.72 ?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) : |
-8.1 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.37 |
Log Po/w (XLOGP3) : |
-0.3 |
Log Po/w (WLOGP) : |
0.62 |
Log Po/w (MLOGP) : |
0.12 |
Log Po/w (SILICOS-IT) : |
-0.1 |
Consensus Log Po/w : |
0.34 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-0.67 |
Solubility : |
55.5 mg/ml ; 0.213 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.73 |
Solubility : |
4.81 mg/ml ; 0.0185 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-1.06 |
Solubility : |
22.6 mg/ml ; 0.0867 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.93 |
Safety of [ 336182-06-0 ]