Alternatived Products of [ 132286-79-4 ]
Product Details of [ 132286-79-4 ]
CAS No. : | 132286-79-4 |
MDL No. : | MFCD00273402 |
Formula : |
C13H21NO6
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | VNZYUMCXQWYCAW-VIFPVBQESA-N |
M.W : |
287.31
|
Pubchem ID : | 14779838 |
Synonyms : |
|
Calculated chemistry of [ 132286-79-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
20 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.62 |
Num. rotatable bonds : |
11 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
71.7 |
TPSA : |
101.93 ?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) : |
-7.07 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.32 |
Log Po/w (XLOGP3) : |
1.38 |
Log Po/w (WLOGP) : |
1.47 |
Log Po/w (MLOGP) : |
0.99 |
Log Po/w (SILICOS-IT) : |
1.11 |
Consensus Log Po/w : |
1.45 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-1.76 |
Solubility : |
4.94 mg/ml ; 0.0172 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-3.12 |
Solubility : |
0.216 mg/ml ; 0.000752 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-1.6 |
Solubility : |
7.25 mg/ml ; 0.0252 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.28 |
Safety of [ 132286-79-4 ]