EGF-00695 Yellow

CN(Cc1ccc(Cl)cc1)Cc1ccc(C(=O)Nc2cnc(N(C)C)cc2C(N)=O)o1
0.549
Platform Score
2D Structure
EGF-00695
C22H24ClN5O3 | Exact mass: 441.1568
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
105
TPSA
442
MW
2
HBD
3.4
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 Weight441.90 Da
TPSA104.7 A^2
HBD2
HBA6
SlogP3.38
Fsp30.227
Rotatable Bonds8
Rings3 (3 aromatic)
QED0.555
SA Score2.50 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H24ClN5O3
Exact Mass441.1568
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes