EGF-04826 Red

NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCCC2
0.340
Platform Score
2D Structure
EGF-04826
C14H13N3O5S | Exact mass: 335.0576
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
128
TPSA
335
MW
2
HBD
2.5
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 Weight335.30 Da
TPSA128.5 A^2
HBD2
HBA6
SlogP2.48
Fsp30.286
Rotatable Bonds4
Rings3 (2 aromatic)
QED0.655
SA Score2.44 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC14H13N3O5S
Exact Mass335.0576
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes