EGF-05279 Red

COCc1cc(N2CC(CNC(=O)c3cnc(C)c4c3ccc3ccccc34)OC2=O)ccc1N1CCCCC1
0.231
Platform Score
2D Structure
EGF-05279
C32H34N4O4 | Exact mass: 538.258
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
84
TPSA
539
MW
1
HBD
5.6
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 Weight538.60 Da
TPSA84.0 A^2
HBD1
HBA6
SlogP5.59
Fsp30.344
Rotatable Bonds7
Rings6 (4 aromatic)
QED0.309
SA Score3.24 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC32H34N4O4
Exact Mass538.258
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes