EGF-06006 Red

COc1ccc(Cc2c(N3CCN(C)CC3)nc3c(Cl)cc(Cl)cc3c2N2C(=O)C=CC2=O)cc1
0.342
Platform Score
2D Structure
EGF-06006
C26H24Cl2N4O3 | Exact mass: 510.1225
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
66
TPSA
511
MW
0
HBD
4.3
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 Weight511.40 Da
TPSA66.0 A^2
HBD0
HBA6
SlogP4.32
Fsp30.269
Rotatable Bonds5
Rings5 (3 aromatic)
QED0.476
SA Score2.83 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H24Cl2N4O3
Exact Mass510.1225
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes