EGF-06529 Red

CC1(C)Oc2ccc(CNCC(O)C(Cc3ccccc3)NC(=O)c3ccc(N4CCNCC4)cc3)cc2O1
0.286
Platform Score
2D Structure
EGF-06529
C31H38N4O4 | Exact mass: 530.2893
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
95
TPSA
531
MW
4
HBD
3.1
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 Weight530.70 Da
TPSA95.1 A^2
HBD4
HBA7
SlogP3.10
Fsp30.387
Rotatable Bonds10
Rings5 (3 aromatic)
QED0.320
SA Score3.31 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC31H38N4O4
Exact Mass530.2893
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes