EGF-00333 Green
CCOc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Cl)C1=O
0.663
Platform Score
2D Structure
C12H8Cl3NO3 | Exact mass: 318.957
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
47
TPSA
321
MW
0
HBD
3.3
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 | 320.60 Da |
| TPSA | 46.6 A^2 |
| HBD | 0 |
| HBA | 3 |
| SlogP | 3.30 |
| Fsp3 | 0.167 |
| Rotatable Bonds | 3 |
| Rings | 2 (1 aromatic) |
| QED | 0.803 |
| SA Score | 2.22 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C12H8Cl3NO3 |
| Exact Mass | 318.957 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |