Alternatived Products of [ 7415-69-2 ]
Product Details of [ 7415-69-2 ]
CAS No. : | 7415-69-2 |
MDL No. : | MFCD00084665 |
Formula : |
C10H13N5Na2O11P2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | LTZCGDIGAHOTKN-LGVAUZIVSA-L |
M.W : |
487.16
|
Pubchem ID : | 135818279 |
Synonyms : |
GDP disodium salt
|
Calculated chemistry of [ 7415-69-2 ]
Physicochemical Properties
Num. heavy atoms : |
30 |
Num. arom. heavy atoms : |
9 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
13.0 |
Num. H-bond donors : |
5.0 |
Molar Refractivity : |
84.26 |
TPSA : |
277.85 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) : |
-12.56 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-29.31 |
Log Po/w (XLOGP3) : |
-4.63 |
Log Po/w (WLOGP) : |
-1.89 |
Log Po/w (MLOGP) : |
-4.56 |
Log Po/w (SILICOS-IT) : |
-4.44 |
Consensus Log Po/w : |
-8.97 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.11 |
Water Solubility
Log S (ESOL) : |
0.23 |
Solubility : |
828.0 mg/ml ; 1.7 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
-0.58 |
Solubility : |
128.0 mg/ml ; 0.262 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
2.25 |
Solubility : |
87400.0 mg/ml ; 179.0 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
4.57 |