EGF-02521 Red

O=C(CSc1cc(Cl)ccc1Cl)NC1C(=O)N2C(C(=O)O)=C(Sc3nc4ccccc4s3)CC12
0.351
Platform Score
2D Structure
EGF-02521
C22H15Cl2N3O4S3 | Exact mass: 550.9602
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
100
TPSA
552
MW
2
HBD
4.9
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 Weight552.50 Da
TPSA99.6 A^2
HBD2
HBA7
SlogP4.88
Fsp30.182
Rotatable Bonds7
Rings5 (3 aromatic)
QED0.318
SA Score3.55 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H15Cl2N3O4S3
Exact Mass550.9602
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes