EGF-06689 Red

CC1COCCN1Cc1cc2nc(-c3ncsc3N3CCN(C(=O)Cn4cccnc4=O)CC3)ccc2[nH]1
0.253
Platform Score
2D Structure
EGF-06689
C26H30N8O3S | Exact mass: 534.2162
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
112
TPSA
535
MW
1
HBD
1.8
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 Weight534.60 Da
TPSA112.5 A^2
HBD1
HBA10
SlogP1.81
Fsp30.423
Rotatable Bonds6
Rings6 (4 aromatic)
QED0.399
SA Score3.67 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H30N8O3S
Exact Mass534.2162
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes