EGF-05044 Red

COc1cc(NC(=O)C(=O)N2CCc3c([nH]c4ccccc34)C2c2cccnc2)cc(OC)c1OC
0.290
Platform Score
2D Structure
EGF-05044
C27H26N4O5 | Exact mass: 486.1903
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
486
MW
2
HBD
3.7
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 Weight486.50 Da
TPSA105.8 A^2
HBD2
HBA6
SlogP3.70
Fsp30.222
Rotatable Bonds5
Rings5 (4 aromatic)
QED0.417
SA Score3.03 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC27H26N4O5
Exact Mass486.1903
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes