EGF-06454 Red
Nc1c(C2=NNc3ccccc3N2)nc(Cl)c2cccnc12
0.353
Platform Score
2D Structure
C15H11ClN6 | Exact mass: 310.0734
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
311
MW
3
HBD
3.1
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 | 310.70 Da |
| TPSA | 88.2 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 3.06 |
| Fsp3 | - |
| Rotatable Bonds | 1 |
| Rings | 4 (3 aromatic) |
| QED | 0.601 |
| SA Score | 3.09 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H11ClN6 |
| Exact Mass | 310.0734 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |