EGF-05624 Red

COc1cccc2c1C(=O)NC2(O)OCc1cc(=O)n2cc(Br)ccc2n1
0.299
Platform Score
2D Structure
EGF-05624
C18H14BrN3O5 | Exact mass: 431.0117
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
102
TPSA
432
MW
2
HBD
1.5
SlogP
Display Controls
Rotate: drag | Zoom: scroll | Pan: right-drag | Double-click: center Loading...
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 Weight432.20 Da
TPSA102.2 A^2
HBD2
HBA7
SlogP1.53
Fsp30.167
Rotatable Bonds4
Rings4 (3 aromatic)
QED0.607
SA Score3.49 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H14BrN3O5
Exact Mass431.0117
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes