Alternatived Products of [ 14086-90-9 ]
Product Details of [ 14086-90-9 ]
CAS No. : | 14086-90-9 |
MDL No. : | MFCD00067367 |
Formula : |
C16H23NO10
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | OVPIZHVSWNOZMN-XIHUBIEQSA-N |
M.W : |
389.35
|
Pubchem ID : | 2817447 |
Synonyms : |
|
Calculated chemistry of [ 14086-90-9 ]
Physicochemical Properties
Num. heavy atoms : |
27 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.69 |
Num. rotatable bonds : |
11 |
Num. H-bond acceptors : |
10.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
86.14 |
TPSA : |
143.53 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-8.64 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.67 |
Log Po/w (XLOGP3) : |
0.05 |
Log Po/w (WLOGP) : |
-0.79 |
Log Po/w (MLOGP) : |
-1.01 |
Log Po/w (SILICOS-IT) : |
-0.29 |
Consensus Log Po/w : |
0.12 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
2.0 |
Egan : |
1.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.56 |
Solubility : |
10.7 mg/ml ; 0.0276 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.62 |
Solubility : |
0.94 mg/ml ; 0.00241 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-0.89 |
Solubility : |
50.6 mg/ml ; 0.13 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
4.64 |