EGF-06432 Red

COc1cc2c3ccccc3n(C)c2cc1NC(=O)CC(CC(=O)O)c1ccc(F)cc1F
0.270
Platform Score
2D Structure
EGF-06432
C25H22F2N2O4 | Exact mass: 452.1548
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
452
MW
2
HBD
5.2
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 Weight452.50 Da
TPSA80.6 A^2
HBD2
HBA4
SlogP5.21
Fsp30.200
Rotatable Bonds7
Rings4 (4 aromatic)
QED0.404
SA Score2.91 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H22F2N2O4
Exact Mass452.1548
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes