EGF-06832 Red

O=c1oc2c(c(O)c1C(c1cccc(NS(=O)(=O)c3cccs3)c1)C1CCOC1)CCCCCC2
0.252
Platform Score
2D Structure
EGF-06832
C26H29NO6S2 | Exact mass: 515.1436
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
516
MW
2
HBD
5.0
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 Weight515.70 Da
TPSA105.8 A^2
HBD2
HBA7
SlogP5.04
Fsp30.423
Rotatable Bonds6
Rings5 (3 aromatic)
QED0.477
SA Score3.67 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H29NO6S2
Exact Mass515.1436
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes