Alternatived Products of [ 18422-05-4 ]
Product Details of [ 18422-05-4 ]
CAS No. : | 18422-05-4 |
MDL No. : | MFCD00005750 |
Formula : |
C10H16N5O8P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | ZOEFQKVADUBYKV-MCDZGGTQSA-N |
M.W : |
365.24
|
Pubchem ID : | 6419976 |
Synonyms : |
5'-AMP monohydrate;5'-Adenylic acid;5'-AMP
|
Calculated chemistry of [ 18422-05-4 ]
Physicochemical Properties
Num. heavy atoms : |
24 |
Num. arom. heavy atoms : |
9 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
11.0 |
Num. H-bond donors : |
6.0 |
Molar Refractivity : |
76.63 |
TPSA : |
205.11 Ų |
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) : |
-11.36 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-0.62 |
Log Po/w (XLOGP3) : |
-3.99 |
Log Po/w (WLOGP) : |
-2.24 |
Log Po/w (MLOGP) : |
-4.22 |
Log Po/w (SILICOS-IT) : |
-3.53 |
Consensus Log Po/w : |
-2.92 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
4.0 |
Bioavailability Score : |
0.11 |
Water Solubility
Log S (ESOL) : |
0.4 |
Solubility : |
908.0 mg/ml ; 2.49 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
0.28 |
Solubility : |
699.0 mg/ml ; 1.91 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
1.26 |
Solubility : |
6710.0 mg/ml ; 18.4 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
4.45 |