EGF-05546 Red

CCCc1cc(-c2ccccc2O)cc(C(=O)NCCCCCCC(O)=NO)n1
0.220
Platform Score
2D Structure
EGF-05546
C22H29N3O4 | Exact mass: 399.2158
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
115
TPSA
400
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 Weight399.50 Da
TPSA115.0 A^2
HBD4
HBA5
SlogP4.43
Fsp30.409
Rotatable Bonds11
Rings2 (2 aromatic)
QED0.147
SA Score2.66 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H29N3O4
Exact Mass399.2158
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes