Alternatived Products of [ 367252-09-3 ]
Product Details of [ 367252-09-3 ]
CAS No. : | 367252-09-3 |
MDL No. : | MFCD19704863 |
Formula : |
C11H16BF4N3OS
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | QGJXDGWPRBAYJB-UHFFFAOYSA-N |
M.W : |
325.13
|
Pubchem ID : | 71306484 |
Synonyms : |
|
Calculated chemistry of [ 367252-09-3 ]
Physicochemical Properties
Num. heavy atoms : |
21 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.45 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
86.31 |
TPSA : |
57.01 Ų |
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) : |
-6.39 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
2.67 |
Log Po/w (WLOGP) : |
2.97 |
Log Po/w (MLOGP) : |
2.35 |
Log Po/w (SILICOS-IT) : |
-0.25 |
Consensus Log Po/w : |
1.55 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.62 |
Solubility : |
0.0785 mg/ml ; 0.000241 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.52 |
Solubility : |
0.0984 mg/ml ; 0.000303 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-2.0 |
Solubility : |
3.24 mg/ml ; 0.00995 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
3.0 alert |
Leadlikeness : |
0.0 |
Synthetic accessibility : |
3.59 |
Safety of [ 367252-09-3 ]