EGF-05566 Red
COc1cc(-c2cnc3[nH]cc(C(=O)O)c(=Nc4ccc(C(F)(F)F)cc4)c3c2)ccc1O
0.262
Platform Score
2D Structure
C23H16F3N3O4 | Exact mass: 455.1093
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
108
TPSA
455
MW
3
HBD
4.9
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 | 455.40 Da |
| TPSA | 107.8 A^2 |
| HBD | 3 |
| HBA | 5 |
| SlogP | 4.89 |
| Fsp3 | 0.087 |
| Rotatable Bonds | 4 |
| Rings | 4 (4 aromatic) |
| QED | 0.406 |
| SA Score | 2.79 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H16F3N3O4 |
| Exact Mass | 455.1093 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |