EGF-05681 Red

CCN(CC)C(=O)c1cn(Cc2ccccc2)c2cc(CCCN3CCCC3)ccc2c1=O
0.342
Platform Score
2D Structure
EGF-05681
C28H35N3O2 | Exact mass: 445.2729
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
46
TPSA
446
MW
0
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 Weight445.60 Da
TPSA45.6 A^2
HBD0
HBA4
SlogP4.56
Fsp30.429
Rotatable Bonds9
Rings4 (3 aromatic)
QED0.485
SA Score2.32 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC28H35N3O2
Exact Mass445.2729
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes