EGF-05887 Red

CCC(c1ncc(C)o1)n1ncc2c3ccccc3n(C)c2c1=O
0.356
Platform Score
2D Structure
EGF-05887
C18H18N4O2 | Exact mass: 322.143
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
66
TPSA
322
MW
0
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 Weight322.40 Da
TPSA65.8 A^2
HBD0
HBA6
SlogP3.18
Fsp30.278
Rotatable Bonds3
Rings4 (4 aromatic)
QED0.581
SA Score3.35 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H18N4O2
Exact Mass322.143
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes