Alternatived Products of [ 460345-16-8 ]
Product Details of [ 460345-16-8 ]
CAS No. : | 460345-16-8 |
MDL No. : | MFCD03427621 |
Formula : |
C11H19F3N2O3S
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | RABFGPMWVQNDHI-UHFFFAOYSA-M |
M.W : |
316.34
|
Pubchem ID : | 2734247 |
Synonyms : |
|
Calculated chemistry of [ 460345-16-8 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
20 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.73 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
69.12 |
TPSA : |
74.39 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-6.29 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-2.9 |
Log Po/w (XLOGP3) : |
2.73 |
Log Po/w (WLOGP) : |
4.29 |
Log Po/w (MLOGP) : |
1.22 |
Log Po/w (SILICOS-IT) : |
1.6 |
Consensus Log Po/w : |
1.39 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.31 |
Solubility : |
0.155 mg/ml ; 0.00049 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.95 |
Solubility : |
0.0358 mg/ml ; 0.000113 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-2.38 |
Solubility : |
1.32 mg/ml ; 0.00418 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
2.29 |
Safety of [ 460345-16-8 ]