EGF-05965 Red
CN1C(=O)c2cc(NC(=O)Cc3ccccc3F)ccc2OCC2OC(CC(=O)O)CCC21
0.353
Platform Score
2D Structure
C24H25FN2O6 | Exact mass: 456.1697
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
105
TPSA
456
MW
2
HBD
2.9
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 | 456.50 Da |
| TPSA | 105.2 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 2.86 |
| Fsp3 | 0.375 |
| Rotatable Bonds | 5 |
| Rings | 4 (2 aromatic) |
| QED | 0.717 |
| SA Score | 3.45 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H25FN2O6 |
| Exact Mass | 456.1697 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |