EGF-05149 Red
COc1ncc(-c2cccc(Cn3c(=O)n(CCC4CC4)c(=O)c4cc(OC(C)C)ccc43)c2)cn1
0.285
Platform Score
2D Structure
C28H30N4O4 | Exact mass: 486.2267
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
487
MW
0
HBD
4.3
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 | 486.60 Da |
| TPSA | 88.2 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 4.26 |
| Fsp3 | 0.357 |
| Rotatable Bonds | 9 |
| Rings | 5 (4 aromatic) |
| QED | 0.351 |
| SA Score | 2.64 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H30N4O4 |
| Exact Mass | 486.2267 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |