EGF-04854 Red

N#CC(Cc1ccc(C(=O)N2CCCC2c2ccccc2)cc1F)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
0.224
Platform Score
2D Structure
EGF-04854
C34H35FN6O3 | Exact mass: 594.2755
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
109
TPSA
595
MW
2
HBD
5.5
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 Weight594.70 Da
TPSA108.8 A^2
HBD2
HBA4
SlogP5.46
Fsp30.353
Rotatable Bonds6
Rings6 (3 aromatic)
QED0.395
SA Score3.63 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC34H35FN6O3
Exact Mass594.2755
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes