EGF-00016 Green
C=CC(=O)Nc1cc2c(=Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncn(C)c2s1
0.566
Platform Score
2D Structure
C23H18ClFN4O2S | Exact mass: 468.0823
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
68
TPSA
469
MW
1
HBD
5.4
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 | 468.90 Da |
| TPSA | 68.5 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 5.36 |
| Fsp3 | 0.087 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.387 |
| SA Score | 3.16 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H18ClFN4O2S |
| Exact Mass | 468.0823 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |