Alternatived Products of [ 64536-78-3 ]
Product Details of [ 64536-78-3 ]
CAS No. : 64536-78-3
MDL No. : MFCD00075097
Formula :
C31 H50 F6 IrNP2
Boiling Point :
-
Linear Structure Formula : -
InChI Key : -
M.W :
804.90
Pubchem ID : -
Synonyms :
Calculated chemistry of [ 64536-78-3 ]
Physicochemical Properties
Num. heavy atoms :
41
Num. arom. heavy atoms :
6
Fraction Csp3 :
0.71
Num. rotatable bonds :
5
Num. H-bond acceptors :
6.0
Num. H-bond donors :
0.0
Molar Refractivity :
161.36
TPSA :
52.66 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 :
Yes
Log Kp (skin permeation) :
-4.07 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.0
Log Po/w (XLOGP3) :
10.02
Log Po/w (WLOGP) :
-7.39
Log Po/w (MLOGP) :
7.29
Log Po/w (SILICOS-IT) :
6.84
Consensus Log Po/w :
3.35
Druglikeness
Lipinski :
2.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
3.0
Bioavailability Score :
0.17
Water Solubility
Log S (ESOL) :
-10.9
Solubility :
0.0000000102 mg/ml ; 0.0 mol/l
Class :
Insoluble
Log S (Ali) :
-11.05
Solubility :
0.0000000071 mg/ml ; 0.0 mol/l
Class :
Insoluble
Log S (SILICOS-IT) :
-7.46
Solubility :
0.0000275 mg/ml ; 0.0000000344 mol/l
Class :
Poorly soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
6.2