EGF-00634 Yellow
N=C(NN=Cc1ccc(Br)cc1)NN=Cc1ccco1
0.516
Platform Score
2D Structure
C13H12BrN5O | Exact mass: 333.0225
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
86
TPSA
334
MW
3
HBD
2.5
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 | 334.20 Da |
| TPSA | 85.8 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 2.52 |
| Fsp3 | - |
| Rotatable Bonds | 4 |
| Rings | 2 (2 aromatic) |
| QED | 0.456 |
| SA Score | 2.76 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C13H12BrN5O |
| Exact Mass | 333.0225 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |