Alternatived Products of [ 28320-73-2 ]
Product Details of [ 28320-73-2 ]
CAS No. : | 28320-73-2 |
MDL No. : | MFCD00190687 |
Formula : |
C11H19N3O6
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | GHONIQQBOSTHSL-UHFFFAOYSA-N |
M.W : |
289.29
|
Pubchem ID : | 7019030 |
Synonyms : |
|
Chemical Name : | 2,2-Dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid |
Calculated chemistry of [ 28320-73-2 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
20 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.64 |
Num. rotatable bonds : |
11 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
67.28 |
TPSA : |
133.83 ?2 |
Pharmacokinetics
GI absorption : |
Low |
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) : |
-8.63 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
1.71 |
Log Po/w (XLOGP3) : |
-0.79 |
Log Po/w (WLOGP) : |
-1.17 |
Log Po/w (MLOGP) : |
-1.13 |
Log Po/w (SILICOS-IT) : |
-0.96 |
Consensus Log Po/w : |
-0.47 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-0.41 |
Solubility : |
113.0 mg/ml ; 0.389 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-1.54 |
Solubility : |
8.31 mg/ml ; 0.0287 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-1.42 |
Solubility : |
11.1 mg/ml ; 0.0385 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.54 |