EGF-06549 Red
Cn1cnnc1C(NC1CCCN(C(=O)OC(C)(C)C)C1)c1cc(F)cc(C(F)(F)F)c1
0.349
Platform Score
2D Structure
C21H27F4N5O2 | Exact mass: 457.2101
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
72
TPSA
458
MW
1
HBD
4.0
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 | 457.50 Da |
| TPSA | 72.3 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 4.05 |
| Fsp3 | 0.571 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.702 |
| SA Score | 3.55 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H27F4N5O2 |
| Exact Mass | 457.2101 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |