EGF-04814 Red

CC(Oc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(n(C)c12)CCCCC3)C(=O)NCCN
0.314
Platform Score
2D Structure
EGF-04814
C25H30FN3O4S | Exact mass: 487.1941
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
103
TPSA
488
MW
2
HBD
3.3
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 Weight487.60 Da
TPSA103.4 A^2
HBD2
HBA6
SlogP3.26
Fsp30.400
Rotatable Bonds7
Rings4 (3 aromatic)
QED0.498
SA Score3.22 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H30FN3O4S
Exact Mass487.1941
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes