EGF-01477 Green

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCC(O)C2)nc1
0.611
Platform Score
2D Structure
EGF-01477
C16H15Cl2N3O2 | Exact mass: 351.0541
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
66
TPSA
352
MW
2
HBD
3.2
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 Weight352.20 Da
TPSA65.5 A^2
HBD2
HBA4
SlogP3.21
Fsp30.250
Rotatable Bonds3
Rings3 (2 aromatic)
QED0.890
SA Score2.45 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H15Cl2N3O2
Exact Mass351.0541
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes