Alternatived Products of [ 808142-88-3 ]
Product Details of [ 808142-88-3 ]
CAS No. : 808142-88-3
MDL No. : MFCD31707653
Formula :
C42 H42 F8 IrN4 P
Boiling Point :
-
Linear Structure Formula : -
InChI Key : -
M.W :
977.99
Pubchem ID : -
Synonyms :
Calculated chemistry of [ 808142-88-3 ]
Physicochemical Properties
Num. heavy atoms :
56
Num. arom. heavy atoms :
24
Fraction Csp3 :
0.24
Num. rotatable bonds :
2
Num. H-bond acceptors :
8.0
Num. H-bond donors :
0.0
Molar Refractivity :
211.47
TPSA :
33.31 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) :
-1.92 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.0
Log Po/w (XLOGP3) :
14.57
Log Po/w (WLOGP) :
17.63
Log Po/w (MLOGP) :
5.75
Log Po/w (SILICOS-IT) :
5.97
Consensus Log Po/w :
8.78
Druglikeness
Lipinski :
2.0
Ghose :
None
Veber :
0.0
Egan :
1.0
Muegge :
3.0
Bioavailability Score :
0.17
Water Solubility
Log S (ESOL) :
-15.27
Solubility :
0.0 mg/ml ; 5.4e-16 mol/l
Class :
Insoluble
Log S (Ali) :
-15.37
Solubility :
0.0 mg/ml ; 4.27e-16 mol/l
Class :
Insoluble
Log S (SILICOS-IT) :
-9.69
Solubility :
0.0000002 mg/ml ; 0.0000000002 mol/l
Class :
Poorly soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
2.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
6.66
Safety of [ 808142-88-3 ]