Alternatived Products of [ 870987-63-6 ]
Product Details of [ 870987-63-6 ]
CAS No. : | 870987-63-6 |
MDL No. : | MFCD27952556 |
Formula : |
C42H34F16IrN4P
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | ZUCAVAHGAUORTF-UHFFFAOYSA-N |
M.W : |
1121.91
|
Pubchem ID : | 138376498 |
Synonyms : |
|
Calculated chemistry of [ 870987-63-6 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
64 |
Num. arom. heavy atoms : |
24 |
Fraction Csp3 : |
0.24 |
Num. rotatable bonds : |
4 |
Num. H-bond acceptors : |
16.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
211.65 |
TPSA : |
53.86 ?2 |
Pharmacokinetics
GI absorption : |
High |
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) : |
-1.92 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
15.81 |
Log Po/w (WLOGP) : |
-0.23 |
Log Po/w (MLOGP) : |
6.92 |
Log Po/w (SILICOS-IT) : |
7.98 |
Consensus Log Po/w : |
6.1 |
Druglikeness
Lipinski : |
2.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
4.0 |
Bioavailability Score : |
0.17 |
Water Solubility
Log S (ESOL) : |
-16.77 |
Solubility : |
0.0 mg/ml ; 1.7e-17 mol/l |
Class : |
Insoluble |
Log S (Ali) : |
-17.09 |
Solubility : |
0.0 mg/ml ; 8.16e-18 mol/l |
Class : |
Insoluble |
Log S (SILICOS-IT) : |
-11.0 |
Solubility : |
0.0000000113 mg/ml ; 0.0 mol/l |
Class : |
Insoluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
6.71 |
Safety of [ 870987-63-6 ]