EGF-05775 Red

O=C1NC(=O)C2(CCN(CCc3cccc4ccccc34)CC2)N1c1cccc(Cl)c1
0.346
Platform Score
2D Structure
EGF-05775
C25H24ClN3O2 | Exact mass: 433.1557
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
53
TPSA
434
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 Weight433.90 Da
TPSA52.7 A^2
HBD1
HBA3
SlogP4.63
Fsp30.280
Rotatable Bonds4
Rings5 (3 aromatic)
QED0.610
SA Score2.90 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H24ClN3O2
Exact Mass433.1557
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes