EGF-05442 Red

Cc1cccnc1N1CCc2[nH]cnc(=Nc3cccn(C4CCC(c5ccccc5)C4)c3=O)c2C1
0.296
Platform Score
2D Structure
EGF-05442
C29H30N6O | Exact mass: 478.2481
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
79
TPSA
479
MW
1
HBD
4.6
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 Weight478.60 Da
TPSA79.2 A^2
HBD1
HBA6
SlogP4.58
Fsp30.310
Rotatable Bonds4
Rings6 (4 aromatic)
QED0.466
SA Score3.93 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC29H30N6O
Exact Mass478.2481
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes