EGF-00671 Yellow
NC(=O)c1c[nH]n2cccc2c1=Nc1cc(NC2CCOCC2)cc(Cl)c1F
0.536
Platform Score
2D Structure
C19H19ClFN5O2 | Exact mass: 403.1211
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
404
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 | 403.80 Da |
| TPSA | 96.9 A^2 |
| HBD | 3 |
| HBA | 5 |
| SlogP | 2.98 |
| Fsp3 | 0.263 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.624 |
| SA Score | 3.35 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H19ClFN5O2 |
| Exact Mass | 403.1211 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |