EGF-01413 Yellow

O=C(Cc1nc2ccccc2[nH]c1=O)Nc1ccc2c(c1)OCCO2
0.529
Platform Score
2D Structure
EGF-01413
C18H15N3O4 | Exact mass: 337.1063
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
337
MW
2
HBD
1.9
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 Weight337.30 Da
TPSA93.3 A^2
HBD2
HBA5
SlogP1.88
Fsp30.167
Rotatable Bonds3
Rings4 (3 aromatic)
QED0.761
SA Score2.16 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H15N3O4
Exact Mass337.1063
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes