Alternatived Products of [ 19285-83-7 ]
Product Details of [ 19285-83-7 ]
CAS No. : | 19285-83-7 |
MDL No. : | MFCD00150703 |
Formula : |
C5H11NO5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | OZDAOHVKBFBBMZ-UHFFFAOYSA-N |
M.W : |
165.14
|
Pubchem ID : | 16219385 |
Synonyms : |
|
Calculated chemistry of [ 19285-83-7 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
11 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.6 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
35.45 |
TPSA : |
109.85 ?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) : |
-10.26 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.21 |
Log Po/w (XLOGP3) : |
-4.16 |
Log Po/w (WLOGP) : |
-0.8 |
Log Po/w (MLOGP) : |
-3.99 |
Log Po/w (SILICOS-IT) : |
-1.19 |
Consensus Log Po/w : |
-1.98 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
2.02 |
Solubility : |
17300.0 mg/ml ; 105.0 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
2.46 |
Solubility : |
47500.0 mg/ml ; 288.0 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
0.89 |
Solubility : |
1290.0 mg/ml ; 7.83 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.9 |