EGF-06218 Red
COC(=O)C12CC(c3cc(-c4cccnc4)ccc3O1)N2C(=O)Cc1cc2c(F)cccc2[nH]1
0.268
Platform Score
2D Structure
C26H20FN3O4 | Exact mass: 457.1438
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
84
TPSA
458
MW
1
HBD
4.2
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 | 457.50 Da |
| TPSA | 84.5 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 4.15 |
| Fsp3 | 0.192 |
| Rotatable Bonds | 4 |
| Rings | 7 (4 aromatic) |
| QED | 0.466 |
| SA Score | 4.45 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H20FN3O4 |
| Exact Mass | 457.1438 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |