Alternatived Products of [ 676525-77-2 ]
Product Details of [ 676525-77-2 ]
CAS No. : | 676525-77-2 |
MDL No. : | MFCD27952560 |
Formula : |
C40H40F6IrN4P
|
Boiling Point : |
No data available |
Linear Structure Formula : | - |
InChI Key : | VCIVELSSYHAWGC-UHFFFAOYSA-N |
M.W : |
913.95
|
Pubchem ID : | 60146995 |
Synonyms : |
|
Calculated chemistry of [ 676525-77-2 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
52 |
Num. arom. heavy atoms : |
24 |
Fraction Csp3 : |
0.2 |
Num. rotatable bonds : |
2 |
Num. H-bond acceptors : |
6.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
201.44 |
TPSA : |
53.86 ?2 |
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) : |
-2.19 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
13.64 |
Log Po/w (WLOGP) : |
-7.44 |
Log Po/w (MLOGP) : |
5.26 |
Log Po/w (SILICOS-IT) : |
4.87 |
Consensus Log Po/w : |
3.26 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
3.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-14.31 |
Solubility : |
0.0 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-14.84 |
Solubility : |
0.0 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-8.92 |
Solubility : |
0.00000109 mg/ml ; 0.0000000012 mol/l |
Class : |
Poorly soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
6.41 |
Safety of [ 676525-77-2 ]