EGF-00866 Yellow
CCOC(=O)c1sc(NC(=O)Nc2ccc(F)c(Cl)c2)c(C(=O)OC)c1C
0.535
Platform Score
2D Structure
C17H16ClFN2O5S | Exact mass: 414.0452
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
94
TPSA
415
MW
2
HBD
4.5
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 | 414.80 Da |
| TPSA | 93.7 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 4.46 |
| Fsp3 | 0.235 |
| Rotatable Bonds | 5 |
| Rings | 2 (2 aromatic) |
| QED | 0.704 |
| SA Score | 2.18 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H16ClFN2O5S |
| Exact Mass | 414.0452 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |