EGF-04168 Red

COc1cc(C(=O)Nc2cccc3c2OC(CN(C)CC2CC2)C(C)CN(C(C)CO)C3=O)cc(OC)c1OC
0.345
Platform Score
2D Structure
EGF-04168
C30H41N3O7 | Exact mass: 555.2945
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
110
TPSA
556
MW
2
HBD
3.5
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 Weight555.70 Da
TPSA109.8 A^2
HBD2
HBA8
SlogP3.53
Fsp30.533
Rotatable Bonds11
Rings4 (2 aromatic)
QED0.434
SA Score3.62 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC30H41N3O7
Exact Mass555.2945
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes