Alternatived Products of [ 113712-06-4 ]
Product Details of [ 113712-06-4 ]
CAS No. : | 113712-06-4 |
MDL No. : | MFCD00076906 |
Formula : |
C11H23ClN4O4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | HDELGKMVZYHPPB-OGFXRTJISA-N |
M.W : |
310.78
|
Pubchem ID : | 44630161 |
Synonyms : |
|
Chemical Name : | Boc-D-Arg-OH.HCl |
Calculated chemistry of [ 113712-06-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
20 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.73 |
Num. rotatable bonds : |
10 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
5.0 |
Molar Refractivity : |
77.34 |
TPSA : |
137.53 ?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) : |
-8.2 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
0.0 |
Log Po/w (WLOGP) : |
1.03 |
Log Po/w (MLOGP) : |
0.42 |
Log Po/w (SILICOS-IT) : |
-0.68 |
Consensus Log Po/w : |
0.15 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.11 |
Solubility : |
24.3 mg/ml ; 0.0782 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.44 |
Solubility : |
1.13 mg/ml ; 0.00364 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-1.25 |
Solubility : |
17.3 mg/ml ; 0.0557 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.18 |
Safety of [ 113712-06-4 ]