Alternatived Products of [ 70671-54-4 ]
Product Details of [ 70671-54-4 ]
CAS No. : | 70671-54-4 |
MDL No. : | MFCD00067713 |
Formula : |
C14H20N2O4
|
Boiling Point : |
- |
Linear Structure Formula : | H2N(CH2)4CH(COOH)NHCOOCH2C6H5 |
InChI Key : | OJTJKAUNOLVMDX-GFCCVEGCSA-N |
M.W : |
280.32
|
Pubchem ID : | 7017997 |
Synonyms : |
|
Chemical Name : | Z-D-Lys-OH |
Calculated chemistry of [ 70671-54-4 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
20 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.43 |
Num. rotatable bonds : |
10 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
74.01 |
TPSA : |
101.65 ?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) : |
-8.78 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.01 |
Log Po/w (XLOGP3) : |
-1.08 |
Log Po/w (WLOGP) : |
1.34 |
Log Po/w (MLOGP) : |
1.15 |
Log Po/w (SILICOS-IT) : |
1.14 |
Consensus Log Po/w : |
0.91 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.46 |
Solubility : |
97.3 mg/ml ; 0.347 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.57 |
Solubility : |
76.3 mg/ml ; 0.272 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-3.22 |
Solubility : |
0.168 mg/ml ; 0.000598 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.89 |