EGF-06457 Red

CCN(C(=O)Oc1ccc(F)cc1)C1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)CC1c1ccc(Cl)cc1
0.262
Platform Score
2D Structure
EGF-06457
C31H31ClFN5O3 | Exact mass: 575.2099
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
90
TPSA
576
MW
0
HBD
5.5
SlogP
Display Controls
Rotate: drag | Zoom: scroll | Pan: right-drag | Double-click: center Loading...
EGFR Docking Result
N/A
kcal/mol (molecular docking)
Docking Rank#- of 1,249
Consensus Score-
ReceptorEGFR (PDB: 1M17)
Selective No
Selectivity Profile
ADMET Profile
BBB (BOILED-Egg) BBB- (non-penetrant)
ADMET Status Pass (no hard fails)
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight576.10 Da
TPSA89.8 A^2
HBD0
HBA6
SlogP5.48
Fsp30.355
Rotatable Bonds6
Rings5 (3 aromatic)
QED0.387
SA Score3.49 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC31H31ClFN5O3
Exact Mass575.2099
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes