Alternatived Products of [ 2545-40-6 ]
Product Details of [ 2545-40-6 ]
CAS No. : | 2545-40-6 |
MDL No. : | MFCD00063183 |
Formula : |
C6H9NO5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | OTCCIMWXFLJLIA-UHFFFAOYSA-N |
M.W : |
175.14
|
Pubchem ID : | 97508 |
Synonyms : |
|
Chemical Name : | 2-Acetamidosuccinic acid |
Calculated chemistry of [ 2545-40-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
12 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
5 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
37.5 |
TPSA : |
103.7 ?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) : |
-8.75 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.2 |
Log Po/w (XLOGP3) : |
-1.95 |
Log Po/w (WLOGP) : |
-0.95 |
Log Po/w (MLOGP) : |
-1.09 |
Log Po/w (SILICOS-IT) : |
-1.11 |
Consensus Log Po/w : |
-0.98 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
0.63 |
Solubility : |
752.0 mg/ml ; 4.29 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
0.29 |
Solubility : |
345.0 mg/ml ; 1.97 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
0.53 |
Solubility : |
599.0 mg/ml ; 3.42 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.11 |
Categories