EGF-06390 Red
Cc1cn(C2CC(n3cc(C(=O)c4ccc(Br)cc4)nn3)C(CO)O2)c(=O)[nH]c1=O
0.241
Platform Score
2D Structure
C19H18BrN5O5 | Exact mass: 475.0491
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
132
TPSA
476
MW
2
HBD
0.9
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 | 476.30 Da |
| TPSA | 132.1 A^2 |
| HBD | 2 |
| HBA | 9 |
| SlogP | 0.95 |
| Fsp3 | 0.316 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.524 |
| SA Score | 3.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H18BrN5O5 |
| Exact Mass | 475.0491 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |