EGF-06398 Red
Cc1cccc(C)c1-n1c(=O)n2n(c1=O)C1c3cc(Br)ccc3OC(C=O)C1C=C2
0.317
Platform Score
2D Structure
C22H18BrN3O4 | Exact mass: 467.0481
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
75
TPSA
468
MW
0
HBD
2.8
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 | 468.30 Da |
| TPSA | 75.2 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 2.83 |
| Fsp3 | 0.227 |
| Rotatable Bonds | 2 |
| Rings | 5 (3 aromatic) |
| QED | 0.543 |
| SA Score | 4.35 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H18BrN3O4 |
| Exact Mass | 467.0481 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |