EGF-05230 Red

CCOc1ccc(CNCC2(N3CCN(C(=O)C4CN(C(C)C)CC4c4ccc(Cl)cc4)CC3)CCCCC2)cc1
0.260
Platform Score
2D Structure
EGF-05230
C34H49ClN4O2 | Exact mass: 580.3544
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
48
TPSA
581
MW
1
HBD
5.8
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 Weight581.20 Da
TPSA48.1 A^2
HBD1
HBA5
SlogP5.80
Fsp30.618
Rotatable Bonds10
Rings5 (2 aromatic)
QED0.385
SA Score3.52 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC34H49ClN4O2
Exact Mass580.3544
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes