EGF-05620 Red
O=c1c(C=Cc2ccc(C(F)(F)F)cc2)coc2ccc(Cl)cc12
0.349
Platform Score
2D Structure
C18H10ClF3O2 | Exact mass: 350.0321
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
30
TPSA
351
MW
0
HBD
5.6
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 | 350.70 Da |
| TPSA | 30.2 A^2 |
| HBD | 0 |
| HBA | 2 |
| SlogP | 5.64 |
| Fsp3 | 0.056 |
| Rotatable Bonds | 2 |
| Rings | 3 (3 aromatic) |
| QED | 0.599 |
| SA Score | 2.31 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H10ClF3O2 |
| Exact Mass | 350.0321 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |