EGF-03582 Red

CSc1ncc(C2c3c(c(O)n(-c4ccc(Cl)cc4)c3O)ON2c2ccc(Cl)cc2)n1N1CCOCC1
0.323
Platform Score
2D Structure
EGF-03582
C25H23Cl2N5O4S | Exact mass: 559.0848
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
560
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 Weight560.50 Da
TPSA88.2 A^2
HBD2
HBA10
SlogP4.99
Fsp30.240
Rotatable Bonds5
Rings6 (4 aromatic)
QED0.331
SA Score3.88 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H23Cl2N5O4S
Exact Mass559.0848
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes