EGF-06556 Red

CC(=O)c1ccc(N2CCN(C(=O)C3CN(C4CCN(C)CC4)CC3c3ccc(Cl)c(Cl)c3)CC2)nc1
0.350
Platform Score
2D Structure
EGF-06556
C28H35Cl2N5O2 | Exact mass: 543.2168
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
60
TPSA
544
MW
0
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 Weight544.50 Da
TPSA60.0 A^2
HBD0
HBA6
SlogP4.05
Fsp30.536
Rotatable Bonds5
Rings5 (2 aromatic)
QED0.530
SA Score3.38 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC28H35Cl2N5O2
Exact Mass543.2168
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes