Alternatived Products of [ 210471-09-3 ]
Product Details of [ 210471-09-3 ]
CAS No. : | 210471-09-3 |
MDL No. : | MFCD00153327 |
Formula : |
C16H23NO7
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | UWDOQNWFLPMMLQ-UTONKHPSSA-N |
M.W : |
341.36
|
Pubchem ID : | 44890780 |
Synonyms : |
|
Calculated chemistry of [ 210471-09-3 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
24 |
Num. arom. heavy atoms : |
6 |
Fraction Csp3 : |
0.44 |
Num. rotatable bonds : |
10 |
Num. H-bond acceptors : |
7.0 |
Num. H-bond donors : |
3.0 |
Molar Refractivity : |
85.29 |
TPSA : |
111.16 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-7.39 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.34 |
Log Po/w (XLOGP3) : |
1.4 |
Log Po/w (WLOGP) : |
1.88 |
Log Po/w (MLOGP) : |
0.8 |
Log Po/w (SILICOS-IT) : |
1.58 |
Consensus Log Po/w : |
1.6 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.56 |
Water Solubility
Log S (ESOL) : |
-2.36 |
Solubility : |
1.48 mg/ml ; 0.00433 mol/l |
Class : |
Soluble |
Log S (Ali) : |
-3.34 |
Solubility : |
0.157 mg/ml ; 0.000459 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-3.25 |
Solubility : |
0.193 mg/ml ; 0.000566 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
3.51 |
Safety of [ 210471-09-3 ]