Alternatived Products of [ 155371-19-0 ]
Product Details of [ 155371-19-0 ]
CAS No. : | 155371-19-0 |
MDL No. : | MFCD00216703 |
Formula : |
C6H11F6N2P
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | DPDAKOVGQUGTHH-UHFFFAOYSA-N |
M.W : |
256.13
|
Pubchem ID : | 2758873 |
Synonyms : |
|
Calculated chemistry of [ 155371-19-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
15 |
Num. arom. heavy atoms : |
5 |
Fraction Csp3 : |
0.5 |
Num. rotatable bonds : |
1 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
47.66 |
TPSA : |
22.4 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-5.26 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
3.66 |
Log Po/w (WLOGP) : |
6.24 |
Log Po/w (MLOGP) : |
1.32 |
Log Po/w (SILICOS-IT) : |
0.26 |
Consensus Log Po/w : |
2.3 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-3.91 |
Solubility : |
0.0312 mg/ml ; 0.000122 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.82 |
Solubility : |
0.0388 mg/ml ; 0.000152 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-0.71 |
Solubility : |
50.4 mg/ml ; 0.197 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.75 |
Safety of [ 155371-19-0 ]
Signal Word: | Warning |
Class: | |
Precautionary Statements: | P305+P351+P338 |
UN#: | |
Hazard Statements: | H315-H319 |
Packing Group: | |
GHS Pictogram: |
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