Alternatived Products of [ 51851-37-7 ]
Product Details of [ 51851-37-7 ]
CAS No. : | 51851-37-7 |
MDL No. : | MFCD00042333 |
Formula : |
C14H19F13O3Si
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | AVYKQOAMZCAHRG-UHFFFAOYSA-N |
M.W : |
510.36
|
Pubchem ID : | 103991 |
Synonyms : |
|
Calculated chemistry of [ 51851-37-7 ]
Physicochemical Properties
Num. heavy atoms : |
31 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
14 |
Num. H-bond acceptors : |
16.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
81.43 |
TPSA : |
27.69 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-4.74 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.54 |
Log Po/w (XLOGP3) : |
6.58 |
Log Po/w (WLOGP) : |
11.63 |
Log Po/w (MLOGP) : |
3.7 |
Log Po/w (SILICOS-IT) : |
5.27 |
Consensus Log Po/w : |
6.34 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-6.23 |
Solubility : |
0.000304 mg/ml ; 0.000000595 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-6.96 |
Solubility : |
0.0000559 mg/ml ; 0.000000109 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-6.12 |
Solubility : |
0.000384 mg/ml ; 0.000000753 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
4.72 |