Alternatived Products of [ 3094-09-5 ]
Product Details of [ 3094-09-5 ]
CAS No. : | 3094-09-5 |
MDL No. : | MFCD00866530 |
Formula : |
C9H11FN2O5
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | - |
M.W : |
246.19
|
Pubchem ID : | - |
Synonyms : |
5'-DFUR;5-Fluoro-5'-deoxyuridine;5'-Deoxy-5-fluorouridine.;doxyfluridine;Flutron;Furtulon;5-DFUR;AMC 0101;Ro 21-9738
|
Calculated chemistry of [ 3094-09-5 ]
Physicochemical Properties
Num. heavy atoms : |
17 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.56 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
53.07 |
TPSA : |
104.55 Ų |
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) : |
-9.14 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.86 |
Log Po/w (XLOGP3) : |
-1.89 |
Log Po/w (WLOGP) : |
-1.59 |
Log Po/w (MLOGP) : |
-1.44 |
Log Po/w (SILICOS-IT) : |
-0.36 |
Consensus Log Po/w : |
-0.88 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.37 |
Solubility : |
105.0 mg/ml ; 0.426 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
0.21 |
Solubility : |
403.0 mg/ml ; 1.64 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-0.09 |
Solubility : |
199.0 mg/ml ; 0.809 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.81 |