EGF-04903 Red

CCN(C)Cc1ccc(-c2cccc(C3CC(c4ccc(C#N)cc4)=C(C#N)C(=O)N3)c2)cc1
0.295
Platform Score
2D Structure
EGF-04903
C29H26N4O | Exact mass: 446.2107
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
80
TPSA
447
MW
1
HBD
5.2
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 Weight446.60 Da
TPSA79.9 A^2
HBD1
HBA4
SlogP5.22
Fsp30.207
Rotatable Bonds6
Rings4 (3 aromatic)
QED0.563
SA Score3.19 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC29H26N4O
Exact Mass446.2107
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes