EGF-00289 Green
NCc1csc(=NC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]1
0.629
Platform Score
2D Structure
C11H10Cl2N4OS | Exact mass: 315.9952
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
83
TPSA
317
MW
3
HBD
3.0
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 | 317.20 Da |
| TPSA | 83.3 A^2 |
| HBD | 3 |
| HBA | 3 |
| SlogP | 2.97 |
| Fsp3 | 0.091 |
| Rotatable Bonds | 2 |
| Rings | 2 (2 aromatic) |
| QED | 0.795 |
| SA Score | 3.04 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C11H10Cl2N4OS |
| Exact Mass | 315.9952 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |