EGF-06799 Red

O=C1c2ccccc2CCc2c1nc1c(N3CCN4CCCC4C3)nc(-c3ccsc3)cn21
0.316
Platform Score
2D Structure
EGF-06799
C26H25N5OS | Exact mass: 455.178
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
54
TPSA
456
MW
0
HBD
4.1
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 Weight455.60 Da
TPSA53.7 A^2
HBD0
HBA7
SlogP4.07
Fsp30.346
Rotatable Bonds2
Rings7 (4 aromatic)
QED0.456
SA Score3.41 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H25N5OS
Exact Mass455.178
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes