Alternatived Products of [ 17787-40-5 ]
Product Details of [ 17787-40-5 ]
CAS No. : | 17787-40-5 |
MDL No. : | MFCD00149968 |
Formula : |
C4H20FNO4
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | HQFTZNVQVRRDLN-UHFFFAOYSA-M |
M.W : |
165.20
|
Pubchem ID : | 2723808 |
Synonyms : |
|
Calculated chemistry of [ 17787-40-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
10 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
1.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
5.0 |
Num. H-bond donors : |
4.0 |
Molar Refractivity : |
37.02 |
TPSA : |
36.92 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-8.06 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-8.85 |
Log Po/w (XLOGP3) : |
-1.06 |
Log Po/w (WLOGP) : |
-2.93 |
Log Po/w (MLOGP) : |
-6.22 |
Log Po/w (SILICOS-IT) : |
-0.51 |
Consensus Log Po/w : |
-3.91 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-0.2 |
Solubility : |
105.0 mg/ml ; 0.636 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
0.77 |
Solubility : |
981.0 mg/ml ; 5.94 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
-1.35 |
Solubility : |
7.38 mg/ml ; 0.0447 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.0 |