Alternatived Products of [ 26287-69-4 ]
Product Details of [ 26287-69-4 ]
CAS No. : | 26287-69-4 |
MDL No. : | MFCD02683606 |
Formula : |
C9H12N2O6
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | DRTQHJPVMGBUCF-PSQAKQOGSA-N |
M.W : |
244.20
|
Pubchem ID : | 466466 |
Synonyms : |
|
Chemical Name : | 1-((2S,3S,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione |
Calculated chemistry of [ 26287-69-4 ]
Physicochemical Properties
Num. heavy atoms : |
17 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.56 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
54.27 |
TPSA : |
124.78 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) : |
-9.2 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.76 |
Log Po/w (XLOGP3) : |
-1.98 |
Log Po/w (WLOGP) : |
-3.18 |
Log Po/w (MLOGP) : |
-2.24 |
Log Po/w (SILICOS-IT) : |
-1.39 |
Consensus Log Po/w : |
-1.6 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.24 |
Solubility : |
142.0 mg/ml ; 0.581 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.12 |
Solubility : |
187.0 mg/ml ; 0.764 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
0.74 |
Solubility : |
1350.0 mg/ml ; 5.55 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.76 |