EGF-05453 Red
CCn1cc(-c2cccc(NC(=O)c3cc(C(F)(F)F)ccn3)c2C)cc(N2CCOCC2)c1=O
0.334
Platform Score
2D Structure
C25H25F3N4O3 | Exact mass: 486.1879
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
486
MW
1
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 | 486.50 Da |
| TPSA | 76.5 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 4.35 |
| Fsp3 | 0.320 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.581 |
| SA Score | 2.75 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H25F3N4O3 |
| Exact Mass | 486.1879 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |