Alternatived Products of [ 7675-83-4 ]
Product Details of [ 7675-83-4 ]
CAS No. : | 7675-83-4 |
MDL No. : | MFCD00058334 |
Formula : |
C10H21N5O6
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | SUUWYOYAXFUOLX-ZBRNBAAYSA-N |
M.W : |
307.30
|
Pubchem ID : | 11500504 |
Synonyms : |
|
Calculated chemistry of [ 7675-83-4 ]
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.6 |
Num. rotatable bonds : |
9 |
Num. H-bond acceptors : |
9.0 |
Num. H-bond donors : |
8.0 |
Molar Refractivity : |
72.13 |
TPSA : |
225.84 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) : |
-13.9 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-0.22 |
Log Po/w (XLOGP3) : |
-8.07 |
Log Po/w (WLOGP) : |
-2.47 |
Log Po/w (MLOGP) : |
-6.57 |
Log Po/w (SILICOS-IT) : |
-1.61 |
Consensus Log Po/w : |
-3.79 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
3.93 |
Solubility : |
2630000.0 mg/ml ; 8570.0 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
4.08 |
Solubility : |
3700000.0 mg/ml ; 12000.0 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
0.06 |
Solubility : |
353.0 mg/ml ; 1.15 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.22 |