Alternatived Products of [ 205319-06-8 ]
Product Details of [ 205319-06-8 ]
CAS No. : 205319-06-8
MDL No. : MFCD09953446
Formula :
C36 H28 Cl2 OP2 Pd
Boiling Point :
-
Linear Structure Formula : -
InChI Key : VYOUBMJFTDMKRR-UHFFFAOYSA-L
M.W :
715.88
Pubchem ID : 11377567
Synonyms :
Calculated chemistry of [ 205319-06-8 ]
Physicochemical Properties
Num. heavy atoms :
42
Num. arom. heavy atoms :
36
Fraction Csp3 :
0.0
Num. rotatable bonds :
8
Num. H-bond acceptors :
1.0
Num. H-bond donors :
0.0
Molar Refractivity :
182.08
TPSA :
36.41 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) :
-3.26 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.0
Log Po/w (XLOGP3) :
10.43
Log Po/w (WLOGP) :
8.37
Log Po/w (MLOGP) :
7.99
Log Po/w (SILICOS-IT) :
9.99
Consensus Log Po/w :
7.36
Druglikeness
Lipinski :
2.0
Ghose :
None
Veber :
0.0
Egan :
1.0
Muegge :
2.0
Bioavailability Score :
0.17
Water Solubility
Log S (ESOL) :
-10.96
Solubility :
0.0000000079 mg/ml ; 0.0 mol/l
Class :
Insoluble
Log S (Ali) :
-11.14
Solubility :
0.0000000052 mg/ml ; 0.0 mol/l
Class :
Insoluble
Log S (SILICOS-IT) :
-14.72
Solubility :
0.0 mg/ml ; 0.0 mol/l
Class :
Insoluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
3.0
Synthetic accessibility :
5.72
Safety of [ 205319-06-8 ]