EGF-05040 Red
COc1cc2c(cc1OC)C1(O)C(=O)c3c(c(CC=C(C)C)c(C)c(O)c(OC)c3=O)OC1CO2
0.307
Platform Score
2D Structure
C26H28O9 | Exact mass: 484.1733
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
121
TPSA
484
MW
2
HBD
2.8
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 | 484.50 Da |
| TPSA | 120.8 A^2 |
| HBD | 2 |
| HBA | 9 |
| SlogP | 2.82 |
| Fsp3 | 0.385 |
| Rotatable Bonds | 5 |
| Rings | 4 (2 aromatic) |
| QED | 0.617 |
| SA Score | 4.03 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H28O9 |
| Exact Mass | 484.1733 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |