Alternatived Products of [ 1072067-44-7 ]
Product Details of [ 1072067-44-7 ]
CAS No. : | 1072067-44-7 |
MDL No. : | MFCD31657504 |
Formula : |
C40H36F10IrN4P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | YTFMVASKFDAIDY-UHFFFAOYSA-N |
M.W : |
985.92
|
Pubchem ID : | 137698751 |
Synonyms : |
|
Calculated chemistry of [ 1072067-44-7 ]
Physicochemical Properties
Num. heavy atoms : |
56 |
Num. arom. heavy atoms : |
24 |
Fraction Csp3 : |
0.2 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
10.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
201.64 |
TPSA : |
53.86 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
No |
P-gp substrate : |
Yes |
CYP1A2 inhibitor : |
No |
CYP2C19 inhibitor : |
No |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-2.35 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
14.04 |
Log Po/w (WLOGP) : |
-4.57 |
Log Po/w (MLOGP) : |
5.58 |
Log Po/w (SILICOS-IT) : |
6.57 |
Consensus Log Po/w : |
4.32 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-14.98 |
Solubility : |
0.0 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-15.25 |
Solubility : |
0.0 mg/ml ; 5.6e-16 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-9.92 |
Solubility : |
0.000000118 mg/ml ; 0.0000000001 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
6.45 |
Safety of [ 1072067-44-7 ]