EGF-05849 Red

COc1cc(C(=O)N=c2cc[nH]c(NC3CCCCC3)c2)nc(-c2cc(F)c(=O)n(C)c2)c1
0.356
Platform Score
2D Structure
EGF-05849
C24H26FN5O3 | Exact mass: 451.202
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
101
TPSA
452
MW
2
HBD
3.4
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 Weight451.50 Da
TPSA101.4 A^2
HBD2
HBA6
SlogP3.41
Fsp30.333
Rotatable Bonds5
Rings4 (3 aromatic)
QED0.619
SA Score3.29 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC24H26FN5O3
Exact Mass451.202
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes