Alternatived Products of [ 208709-55-1 ]
Product Details of [ 208709-55-1 ]
CAS No. : | 208709-55-1 |
MDL No. : | MFCD20489249 |
Formula : |
C19H28F2O
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | KYNDSYARZOJNCG-UHFFFAOYSA-N |
M.W : |
310.42
|
Pubchem ID : | 22184028 |
Synonyms : |
|
Calculated chemistry of [ 208709-55-1 ]
Physicochemical Properties
Num. heavy atoms : |
22 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.68 |
Num. rotatable bonds : |
7 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
88.58 |
TPSA : |
9.23 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-3.07 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
4.41 |
Log Po/w (XLOGP3) : |
7.21 |
Log Po/w (WLOGP) : |
7.06 |
Log Po/w (MLOGP) : |
5.46 |
Log Po/w (SILICOS-IT) : |
6.42 |
Consensus Log Po/w : |
6.11 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-6.05 |
Solubility : |
0.000279 mg/ml ; 0.000000898 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-7.23 |
Solubility : |
0.0000184 mg/ml ; 0.0000000593 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-6.68 |
Solubility : |
0.0000641 mg/ml ; 0.000000207 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.63 |
Safety of [ 208709-55-1 ]