EGF-05630 Red
CCc1c(Cl)cccc1-c1cc(CO)c(C)c(C(=O)NC(CC(=O)O)c2ccccc2C)n1
0.263
Platform Score
2D Structure
C26H27ClN2O4 | Exact mass: 466.1659
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
100
TPSA
467
MW
3
HBD
5.0
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 | 467.00 Da |
| TPSA | 99.5 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 5.02 |
| Fsp3 | 0.269 |
| Rotatable Bonds | 8 |
| Rings | 3 (3 aromatic) |
| QED | 0.433 |
| SA Score | 3.08 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H27ClN2O4 |
| Exact Mass | 466.1659 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |