EGF-05625 Red

CCCCn1c(=O)c2c(n(CC(=O)c3ccc(OC)c(OCCCCC(=O)OCC)c3)c1=O)CCN(C(C)=O)C2
0.248
Platform Score
2D Structure
EGF-05625
C29H39N3O8 | Exact mass: 557.2737
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
558
MW
0
HBD
2.7
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 Weight557.60 Da
TPSA126.1 A^2
HBD0
HBA10
SlogP2.72
Fsp30.552
Rotatable Bonds14
Rings3 (2 aromatic)
QED0.197
SA Score2.76 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC29H39N3O8
Exact Mass557.2737
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes