EGF-05307 Red

O=C(NCCCNC(=O)c1ccco1)c1ccc(C=Cc2ccccn2)nc1
0.358
Platform Score
2D Structure
EGF-05307
C21H20N4O3 | Exact mass: 376.1535
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
376
MW
2
HBD
2.8
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 Weight376.40 Da
TPSA97.1 A^2
HBD2
HBA5
SlogP2.79
Fsp30.143
Rotatable Bonds8
Rings3 (3 aromatic)
QED0.589
SA Score2.40 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC21H20N4O3
Exact Mass376.1535
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes