EGF-05321 Red
C=C1C(=O)C23OC24C(=CCc2cc(OC)c(C(=O)OC)c(C(C)O)c24)C1CC3=O
0.171
Platform Score
2D Structure
C22H20O7 | Exact mass: 396.1209
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
102
TPSA
396
MW
1
HBD
1.7
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 | 396.40 Da |
| TPSA | 102.4 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 1.71 |
| Fsp3 | 0.409 |
| Rotatable Bonds | 3 |
| Rings | 6 (1 aromatic) |
| QED | 0.273 |
| SA Score | 6.12 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H20O7 |
| Exact Mass | 396.1209 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |