EGF-05789 Red

CNC(=O)c1sc(NC(=O)CCCCCC(O)=NO)nc1-c1cccc(C(F)(F)F)c1
0.212
Platform Score
2D Structure
EGF-05789
C19H21F3N4O4S | Exact mass: 458.1236
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
124
TPSA
458
MW
4
HBD
4.4
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 Weight458.50 Da
TPSA123.9 A^2
HBD4
HBA6
SlogP4.42
Fsp30.368
Rotatable Bonds9
Rings2 (2 aromatic)
QED0.146
SA Score2.73 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC19H21F3N4O4S
Exact Mass458.1236
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes