Alternatived Products of [ 1909313-63-8 ]
Product Details of [ 1909313-63-8 ]
CAS No. : | 1909313-63-8 |
MDL No. : | MFCD29055052 |
Formula : |
C10H16N2O4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | IZGTZXQRQNHNFW-UHFFFAOYSA-N |
M.W : |
228.25
|
Pubchem ID : | 121553244 |
Synonyms : |
|
Calculated chemistry of [ 1909313-63-8 ]
Physicochemical Properties
Num. heavy atoms : |
16 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.6 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
56.65 |
TPSA : |
73.58 Ų |
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) : |
-7.49 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.78 |
Log Po/w (XLOGP3) : |
0.29 |
Log Po/w (WLOGP) : |
0.98 |
Log Po/w (MLOGP) : |
0.05 |
Log Po/w (SILICOS-IT) : |
0.37 |
Consensus Log Po/w : |
0.69 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.85 |
Water Solubility
Log S (ESOL) : |
-1.21 |
Solubility : |
14.2 mg/ml ; 0.0621 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.4 |
Solubility : |
9.14 mg/ml ; 0.0401 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-1.31 |
Solubility : |
11.2 mg/ml ; 0.049 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.39 |
Safety of [ 1909313-63-8 ]