EGF-00663 Green

N=c1cc(Br)cc(NC(=O)c2ccccc2Cl)[nH]1
0.624
Platform Score
2D Structure
EGF-00663
C12H9BrClN3O | Exact mass: 324.9618
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
69
TPSA
327
MW
3
HBD
3.2
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 Weight326.60 Da
TPSA68.7 A^2
HBD3
HBA2
SlogP3.16
Fsp3-
Rotatable Bonds2
Rings2 (2 aromatic)
QED0.779
SA Score2.66 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC12H9BrClN3O
Exact Mass324.9618
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes