EGF-05097 Red

CCCN(CC(=O)Nc1ccc(CC#N)cc1)C(=O)c1cc2ccccc2oc1=O
0.357
Platform Score
2D Structure
EGF-05097
C23H21N3O4 | Exact mass: 403.1532
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
103
TPSA
403
MW
1
HBD
3.4
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 Weight403.40 Da
TPSA103.4 A^2
HBD1
HBA5
SlogP3.35
Fsp30.217
Rotatable Bonds7
Rings3 (3 aromatic)
QED0.609
SA Score2.30 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H21N3O4
Exact Mass403.1532
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes