Alternatived Products of [ 56265-06-6 ]
Product Details of [ 56265-06-6 ]
CAS No. : | 56265-06-6 |
MDL No. : | MFCD17976754 |
Formula : |
C11H21N5O5
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | UYCAGRPOUWSBIQ-WOYAITHZSA-N |
M.W : |
303.31
|
Pubchem ID : | 198346 |
Synonyms : |
|
Chemical Name : | 5-Oxo-L-proline L-arginine salt |
Calculated chemistry of [ 56265-06-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.64 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
7.0 |
Num. H-bond donors : |
7.0 |
Molar Refractivity : |
77.26 |
TPSA : |
191.62 ?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) : |
-11.41 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-0.12 |
Log Po/w (XLOGP3) : |
-4.59 |
Log Po/w (WLOGP) : |
-2.37 |
Log Po/w (MLOGP) : |
-4.1 |
Log Po/w (SILICOS-IT) : |
-1.61 |
Consensus Log Po/w : |
-2.56 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
1.63 |
Solubility : |
13000.0 mg/ml ; 43.0 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
1.19 |
Solubility : |
4670.0 mg/ml ; 15.4 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
0.06 |
Solubility : |
348.0 mg/ml ; 1.15 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
3.09 |