EGF-05778 Red

Nc1cccc(CN2C(=O)N(Cc3ccc(O)cc3)C(Cc3ccccc3)C(O)C(O)C2Cc2ccccc2)c1
0.222
Platform Score
2D Structure
EGF-05778
C33H35N3O4 | Exact mass: 537.2628
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
110
TPSA
538
MW
4
HBD
4.4
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 Weight537.70 Da
TPSA110.3 A^2
HBD4
HBA5
SlogP4.36
Fsp30.242
Rotatable Bonds8
Rings5 (4 aromatic)
QED0.250
SA Score3.62 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC33H35N3O4
Exact Mass537.2628
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes