EGF-05467 Red
COc1ccc(-n2c(=O)c(-c3cccc(Cl)c3)nc3cnc(N4CCOCC4)nc32)cc1
0.341
Platform Score
2D Structure
C23H20ClN5O3 | Exact mass: 449.1255
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
82
TPSA
450
MW
0
HBD
3.3
SlogP
Display Controls
EGFR Docking Result
N/A
kcal/mol (molecular docking)
| Docking Rank | #- of 1,249 |
| Consensus Score | - |
| Receptor | EGFR (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 Weight | 449.90 Da |
| TPSA | 82.4 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 3.34 |
| Fsp3 | 0.217 |
| Rotatable Bonds | 4 |
| Rings | 5 (4 aromatic) |
| QED | 0.472 |
| SA Score | 2.45 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H20ClN5O3 |
| Exact Mass | 449.1255 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |