EGF-06139 Red

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
0.321
Platform Score
2D Structure
EGF-06139
C20H16N2O4 | Exact mass: 348.111
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
348
MW
1
HBD
2.1
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 Weight348.40 Da
TPSA81.4 A^2
HBD1
HBA6
SlogP2.08
Fsp30.250
Rotatable Bonds1
Rings5 (3 aromatic)
QED0.533
SA Score3.18 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H16N2O4
Exact Mass348.111
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes