EGF-06364 Red
CC(C(=O)Nc1ccc(C(=O)O)cc1)n1cc(-c2ccc(Oc3ccc(F)cc3)cc2)nn1
0.274
Platform Score
2D Structure
C24H19FN4O4 | Exact mass: 446.139
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
446
MW
2
HBD
4.8
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 | 446.40 Da |
| TPSA | 106.3 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 4.77 |
| Fsp3 | 0.083 |
| Rotatable Bonds | 7 |
| Rings | 4 (4 aromatic) |
| QED | 0.423 |
| SA Score | 2.62 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H19FN4O4 |
| Exact Mass | 446.139 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |