EGF-05672 Red
NC1CCC(c2c(F)c(F)cc(F)c2F)C(C(=O)Nc2cc(F)cc(Oc3cccc(F)c3)c2)C1=O
0.217
Platform Score
2D Structure
C25H18F6N2O3 | Exact mass: 508.1222
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
508
MW
2
HBD
5.3
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 | 508.40 Da |
| TPSA | 81.4 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 5.34 |
| Fsp3 | 0.200 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.277 |
| SA Score | 3.87 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H18F6N2O3 |
| Exact Mass | 508.1222 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |