EGF-03533 Red
COc1cc(C(=O)OCC2(O)C(C(=O)O)C(=O)N2Cc2ccc(F)cc2)ccc1N
0.285
Platform Score
2D Structure
C20H19FN2O7 | Exact mass: 418.1176
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
139
TPSA
418
MW
3
HBD
1.0
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 | 418.40 Da |
| TPSA | 139.4 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 1.01 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 7 |
| Rings | 3 (2 aromatic) |
| QED | 0.262 |
| SA Score | 3.42 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H19FN2O7 |
| Exact Mass | 418.1176 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |