EGF-06479 Red
Cc1ccc(NC(=O)c2c(NCCc3cccc(Cl)c3F)cc[nH]c2=O)cc1
0.344
Platform Score
2D Structure
C21H19ClFN3O2 | Exact mass: 399.115
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
74
TPSA
400
MW
3
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 | 399.90 Da |
| TPSA | 74.0 A^2 |
| HBD | 3 |
| HBA | 3 |
| SlogP | 4.38 |
| Fsp3 | 0.143 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.575 |
| SA Score | 2.34 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H19ClFN3O2 |
| Exact Mass | 399.115 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |