EGF-00222 Green
O=C(Nc1cccc(Cl)c1)Nc1cc(Br)cnc1Cl
0.635
Platform Score
2D Structure
C12H8BrCl2N3O | Exact mass: 358.9228
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
54
TPSA
361
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 | 361.00 Da |
| TPSA | 54.0 A^2 |
| HBD | 2 |
| HBA | 2 |
| SlogP | 4.79 |
| Fsp3 | - |
| Rotatable Bonds | 2 |
| Rings | 2 (2 aromatic) |
| QED | 0.756 |
| SA Score | 2.04 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C12H8BrCl2N3O |
| Exact Mass | 358.9228 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |