EGF-06063 Red
COc1cc(C2OC(C(C)(O)c3nnc(C)o3)OCC2CC=CCCC(=O)O)ccc1N(C)C
0.267
Platform Score
2D Structure
C24H33N3O7 | Exact mass: 475.2319
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
127
TPSA
476
MW
2
HBD
3.2
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 | 475.50 Da |
| TPSA | 127.4 A^2 |
| HBD | 2 |
| HBA | 9 |
| SlogP | 3.20 |
| Fsp3 | 0.542 |
| Rotatable Bonds | 10 |
| Rings | 3 (2 aromatic) |
| QED | 0.494 |
| SA Score | 4.45 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H33N3O7 |
| Exact Mass | 475.2319 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |