Alternatived Products of [ 272778-12-8 ]
Product Details of [ 272778-12-8 ]
CAS No. : | 272778-12-8 |
MDL No. : | MFCD08460200 |
Formula : |
C39H46F2N2O5Si2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | XXMINDVVBVJXLN-GOFGAPPUSA-N |
M.W : |
716.96
|
Pubchem ID : | 11411498 |
Synonyms : |
|
Calculated chemistry of [ 272778-12-8 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
50 |
Num. arom. heavy atoms : |
24 |
Fraction Csp3 : |
0.33 |
Num. rotatable bonds : |
15 |
Num. H-bond acceptors : |
7.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
201.5 |
TPSA : |
77.1 ?2 |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
Yes |
CYP3A4 inhibitor : |
Yes |
Log Kp (skin permeation) : |
-3.54 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
5.72 |
Log Po/w (XLOGP3) : |
10.05 |
Log Po/w (WLOGP) : |
9.34 |
Log Po/w (MLOGP) : |
5.27 |
Log Po/w (SILICOS-IT) : |
5.55 |
Consensus Log Po/w : |
7.19 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
1.0 |
Egan : |
1.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-9.98 |
Solubility : |
0.0000000748 mg/ml ; 0.0000000001 mol/l |
Class : |
Poorly soluble |
Log S (Ali) : |
-11.6 |
Solubility : |
0.0000000018 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-12.57 |
Solubility : |
0.0000000002 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
3.0 |
Synthetic accessibility : |
6.25 |
Safety of [ 272778-12-8 ]