Alternatived Products of [ 95408-45-0 ]
Product Details of [ 95408-45-0 ]
CAS No. : 95408-45-0
MDL No. : MFCD08064219
Formula :
C26 H44 Cl2 FeP2 Pd
Boiling Point :
-
Linear Structure Formula : -
InChI Key : -
M.W :
651.75
Pubchem ID : -
Synonyms :
Calculated chemistry of [ 95408-45-0 ]
Physicochemical Properties
Num. heavy atoms :
32
Num. arom. heavy atoms :
0
Fraction Csp3 :
0.69
Num. rotatable bonds :
4
Num. H-bond acceptors :
0.0
Num. H-bond donors :
0.0
Molar Refractivity :
148.78
TPSA :
27.18 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) :
-5.15 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.0
Log Po/w (XLOGP3) :
7.22
Log Po/w (WLOGP) :
11.09
Log Po/w (MLOGP) :
7.31
Log Po/w (SILICOS-IT) :
4.64
Consensus Log Po/w :
6.05
Druglikeness
Lipinski :
2.0
Ghose :
None
Veber :
0.0
Egan :
1.0
Muegge :
2.0
Bioavailability Score :
0.17
Water Solubility
Log S (ESOL) :
-8.17
Solubility :
0.00000445 mg/ml ; 0.0000000068 mol/l
Class :
Poorly soluble
Log S (Ali) :
-7.61
Solubility :
0.0000158 mg/ml ; 0.0000000243 mol/l
Class :
Poorly soluble
Log S (SILICOS-IT) :
-7.25
Solubility :
0.0000365 mg/ml ; 0.000000056 mol/l
Class :
Poorly soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
2.0 alert
Leadlikeness :
2.0
Synthetic accessibility :
6.83