EGF-00842 Green

CC(C)(C)Nc1cc(=NC(=O)Nc2cccc(Cl)c2Cl)cc[nH]1
0.554
Platform Score
2D Structure
EGF-00842
C16H18Cl2N4O | Exact mass: 352.0858
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
69
TPSA
353
MW
3
HBD
4.7
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 Weight353.30 Da
TPSA69.3 A^2
HBD3
HBA2
SlogP4.66
Fsp30.250
Rotatable Bonds2
Rings2 (2 aromatic)
QED0.735
SA Score3.11 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H18Cl2N4O
Exact Mass352.0858
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes