EGF-05143 Red

O=C(O)C1C2CCC(COc3ccc(Cl)c4c(Cl)cccc34)CCC21
0.346
Platform Score
2D Structure
EGF-05143
C20H20Cl2O3 | Exact mass: 378.0789
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
46
TPSA
379
MW
1
HBD
5.7
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 Weight379.30 Da
TPSA46.5 A^2
HBD1
HBA2
SlogP5.66
Fsp30.450
Rotatable Bonds4
Rings4 (2 aromatic)
QED0.745
SA Score3.14 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H20Cl2O3
Exact Mass378.0789
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes