Alternatived Products of [ 83048-65-1 ]
Product Details of [ 83048-65-1 ]
CAS No. : | 83048-65-1 |
MDL No. : | MFCD07368748 |
Formula : |
C13H13F17O3Si
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | HJIMAFKWSKZMBK-UHFFFAOYSA-N |
M.W : |
568.30
|
Pubchem ID : | 2782918 |
Synonyms : |
|
Calculated chemistry of [ 83048-65-1 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
34 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
13 |
Num. H-bond acceptors : |
20.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
76.9 |
TPSA : |
27.69 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-4.92 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.51 |
Log Po/w (XLOGP3) : |
6.83 |
Log Po/w (WLOGP) : |
13.41 |
Log Po/w (MLOGP) : |
3.92 |
Log Po/w (SILICOS-IT) : |
5.63 |
Consensus Log Po/w : |
6.86 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-6.81 |
Solubility : |
0.0000884 mg/ml ; 0.000000155 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-7.22 |
Solubility : |
0.0000342 mg/ml ; 0.0000000602 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-6.05 |
Solubility : |
0.000503 mg/ml ; 0.000000885 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
4.47 |