Alternatived Products of [ 69876-37-5 ]
Product Details of [ 69876-37-5 ]
CAS No. : | 69876-37-5 |
MDL No. : | MFCD00191163 |
Formula : |
C26H24N2O4
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | UHYCVEDLXBEKPC-DEOSSOPVSA-N |
M.W : |
428.48
|
Pubchem ID : | 14102143 |
Synonyms : |
|
Calculated chemistry of [ 69876-37-5 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
32 |
Num. arom. heavy atoms : |
21 |
Fraction Csp3 : |
0.15 |
Num. rotatable bonds : |
11 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
122.03 |
TPSA : |
80.42 ?2 |
Pharmacokinetics
GI absorption : |
High |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
Yes |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-5.51 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
3.76 |
Log Po/w (XLOGP3) : |
4.79 |
Log Po/w (WLOGP) : |
4.45 |
Log Po/w (MLOGP) : |
3.15 |
Log Po/w (SILICOS-IT) : |
5.0 |
Consensus Log Po/w : |
4.23 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-5.27 |
Solubility : |
0.00228 mg/ml ; 0.00000532 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-6.21 |
Solubility : |
0.000264 mg/ml ; 0.000000616 mol/l |
Class : |
Poorly soluble |
Log S (SILICOS-IT) : |
-8.91 |
Solubility : |
0.000000532 mg/ml ; 0.0000000012 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
3.72 |
Categories