Alternatived Products of [ 130120-57-9 ]
Product Details of [ 130120-57-9 ]
CAS No. : | 130120-57-9 |
MDL No. : | MFCD00867571 |
Formula : |
C32H54CuN12O12
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : | 862.39 g/mol |
Pubchem ID : | - |
Synonyms : |
1. Prezatide copper acetate
|
Calculated chemistry of [ 130120-57-9 ]
Physicochemical Properties
Num. heavy atoms : |
53 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.57 |
Num. rotatable bonds : |
22 |
Num. H-bond acceptors : |
15.0 |
Num. H-bond donors : |
10.0 |
Molar Refractivity : |
195.04 |
TPSA : |
383.48 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-18.56 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
-10.37 |
Log Po/w (WLOGP) : |
-7.12 |
Log Po/w (MLOGP) : |
-4.9 |
Log Po/w (SILICOS-IT) : |
-5.14 |
Consensus Log Po/w : |
-5.51 |
Druglikeness
Lipinski : |
3.0 |
Ghose : |
None |
Veber : |
2.0 |
Egan : |
1.0 |
Muegge : |
6.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
3.1 |
Solubility : |
1010000.0 mg/ml ; 1260.0 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
3.16 |
Solubility : |
1150000.0 mg/ml ; 1430.0 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-2.77 |
Solubility : |
1.37 mg/ml ; 0.00171 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
7.53 |
Safety of [ 130120-57-9 ]