EGF-06181 Red

O=C1N(CC2CCOCC2)C(Cc2ccccc2)CC(O)C(Cc2ccc(O)cc2)N1Cc1ccccc1
0.271
Platform Score
2D Structure
EGF-06181
C32H38N2O4 | Exact mass: 514.2832
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
73
TPSA
515
MW
2
HBD
5.0
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 Weight514.70 Da
TPSA73.2 A^2
HBD2
HBA4
SlogP5.03
Fsp30.406
Rotatable Bonds8
Rings5 (3 aromatic)
QED0.442
SA Score3.59 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC32H38N2O4
Exact Mass514.2832
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes