EGF-03658 Red

COc1ccccc1N=c1[nH]c2c(=Nc3ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)cc3)[nH]cnc2s1
0.287
Platform Score
2D Structure
EGF-03658
C27H21F3N6O3S | Exact mass: 566.1348
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
117
TPSA
567
MW
3
HBD
5.5
SlogP
Display Controls
Rotate: drag | Zoom: scroll | Pan: right-drag | Double-click: center Loading...
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 Weight566.60 Da
TPSA116.7 A^2
HBD3
HBA7
SlogP5.46
Fsp30.111
Rotatable Bonds7
Rings5 (5 aromatic)
QED0.243
SA Score3.23 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC27H21F3N6O3S
Exact Mass566.1348
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes