EGF-07178 Red

CCn1cc(C(=O)NCCCCNC(=S)Nc2ccc(F)cc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
0.282
Platform Score
2D Structure
EGF-07178
C25H30FN5O4S2 | Exact mass: 547.1723
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
112
TPSA
548
MW
3
HBD
2.9
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 Weight547.70 Da
TPSA112.5 A^2
HBD3
HBA6
SlogP2.91
Fsp30.320
Rotatable Bonds10
Rings3 (3 aromatic)
QED0.264
SA Score2.51 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H30FN5O4S2
Exact Mass547.1723
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes