Alternatived Products of [ 202842-98-6 ]
Product Details of [ 202842-98-6 ]
CAS No. : | 202842-98-6 |
MDL No. : | MFCD09842544 |
Formula : |
C5H11N2O4P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | LXKCHCXZBPLTAE-UHFFFAOYSA-N |
M.W : |
194.13
|
Pubchem ID : | 11446863 |
Synonyms : |
|
Calculated chemistry of [ 202842-98-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
12 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.4 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
42.78 |
TPSA : |
116.25 ?2 |
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) : |
-8.27 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-0.75 |
Log Po/w (XLOGP3) : |
-1.11 |
Log Po/w (WLOGP) : |
0.1 |
Log Po/w (MLOGP) : |
-1.5 |
Log Po/w (SILICOS-IT) : |
1.87 |
Consensus Log Po/w : |
-0.28 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.65 |
Solubility : |
43.2 mg/ml ; 0.223 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-0.84 |
Solubility : |
28.0 mg/ml ; 0.144 mol/l |
Class : |
Very soluble |
Log S (SILICOS-IT) : |
-1.92 |
Solubility : |
2.32 mg/ml ; 0.0119 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.02 |
Safety of [ 202842-98-6 ]