EGF-06502 Red
Cn1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(C(=O)NCCN5CCOCC5)[nH]c34)c(Cl)c2)n1
0.278
Platform Score
2D Structure
C25H26ClN7O4 | Exact mass: 523.1735
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
524
MW
3
HBD
3.1
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 | 524.00 Da |
| TPSA | 126.4 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 3.06 |
| Fsp3 | 0.280 |
| Rotatable Bonds | 8 |
| Rings | 5 (4 aromatic) |
| QED | 0.324 |
| SA Score | 2.81 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H26ClN7O4 |
| Exact Mass | 523.1735 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |