EGF-07108 Red
COc1ccc2nc(Cl)c(C=NNC(=S)Nc3ccc(F)cc3)cc2c1
0.303
Platform Score
2D Structure
C18H14ClFN4OS | Exact mass: 388.0561
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
58
TPSA
389
MW
2
HBD
4.4
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 | 388.90 Da |
| TPSA | 58.5 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 4.36 |
| Fsp3 | 0.056 |
| Rotatable Bonds | 4 |
| Rings | 3 (3 aromatic) |
| QED | 0.301 |
| SA Score | 2.25 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H14ClFN4OS |
| Exact Mass | 388.0561 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |