EGF-06322 Red

COc1ccc(CN2C(=O)N(Cc3ccc(OC)c(OC)c3)C(Cc3ccccc3)C(O)C(O)C2Cc2ccccc2)cc1
0.217
Platform Score
2D Structure
EGF-06322
C36H40N2O6 | Exact mass: 596.2886
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
92
TPSA
597
MW
2
HBD
5.1
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 Weight596.70 Da
TPSA91.7 A^2
HBD2
HBA6
SlogP5.09
Fsp30.306
Rotatable Bonds11
Rings5 (4 aromatic)
QED0.251
SA Score3.60 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC36H40N2O6
Exact Mass596.2886
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes