EGF-01309 Green
O=C(Nc1ccc(F)c(Cl)c1)c1ccn(-c2ccc(F)cc2)n1
0.579
Platform Score
2D Structure
C16H10ClF2N3O | Exact mass: 333.048
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
47
TPSA
334
MW
1
HBD
4.1
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 | 333.70 Da |
| TPSA | 46.9 A^2 |
| HBD | 1 |
| HBA | 3 |
| SlogP | 4.06 |
| Fsp3 | - |
| Rotatable Bonds | 3 |
| Rings | 3 (3 aromatic) |
| QED | 0.785 |
| SA Score | 1.94 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C16H10ClF2N3O |
| Exact Mass | 333.048 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |