EGF-06867 Red

O=C(NCC1CCCCO1)c1cnc(N=c2ncc3ccc(-c4ccccc4Cl)n3[nH]2)cc1F
0.298
Platform Score
2D Structure
EGF-06867
C24H22ClFN6O2 | Exact mass: 480.1477
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
97
TPSA
481
MW
2
HBD
4.0
SlogP
Display Controls
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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 Weight480.90 Da
TPSA96.7 A^2
HBD2
HBA6
SlogP4.05
Fsp30.250
Rotatable Bonds5
Rings5 (4 aromatic)
QED0.450
SA Score3.75 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC24H22ClFN6O2
Exact Mass480.1477
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes