EGF-05528 Red

Cc1c(-c2nnc(Cc3cc(C4OC(CO)C(O)C(O)C4O)ccc3Cl)s2)cnn1-c1ccccc1
0.226
Platform Score
2D Structure
EGF-05528
C25H25ClN4O5S | Exact mass: 528.1234
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
134
TPSA
529
MW
4
HBD
2.5
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 Weight529.00 Da
TPSA133.8 A^2
HBD4
HBA10
SlogP2.46
Fsp30.320
Rotatable Bonds6
Rings5 (4 aromatic)
QED0.300
SA Score3.99 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H25ClN4O5S
Exact Mass528.1234
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes