EGF-00509 Green
Brc1ccc(-c2nnc(-c3ccncc3)o2)c(Br)c1
0.586
Platform Score
2D Structure
C13H7Br2N3O | Exact mass: 378.8956
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
52
TPSA
381
MW
0
HBD
4.3
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 | 381.00 Da |
| TPSA | 51.8 A^2 |
| HBD | 0 |
| HBA | 4 |
| SlogP | 4.32 |
| Fsp3 | - |
| Rotatable Bonds | 2 |
| Rings | 3 (3 aromatic) |
| QED | 0.664 |
| SA Score | 2.21 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C13H7Br2N3O |
| Exact Mass | 378.8956 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |