EGF-03643 Yellow

CC(=O)N1CCN(c2ccc(-n3nc(C)c(Cl)c3C)cn2)CC1
0.541
Platform Score
2D Structure
EGF-03643
C16H20ClN5O | Exact mass: 333.1356
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
54
TPSA
334
MW
0
HBD
2.2
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 Weight333.80 Da
TPSA54.3 A^2
HBD0
HBA5
SlogP2.21
Fsp30.438
Rotatable Bonds2
Rings3 (2 aromatic)
QED0.845
SA Score2.27 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H20ClN5O
Exact Mass333.1356
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes