EGF-04842 Red
CC#CC1=C(C=Cc2ccc(O)c(OC)c2)C(O)(c2ccc(OC)cc2)OC1=O
0.346
Platform Score
2D Structure
C23H20O6 | Exact mass: 392.126
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
85
TPSA
392
MW
2
HBD
3.1
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 | 392.40 Da |
| TPSA | 85.2 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 3.14 |
| Fsp3 | 0.174 |
| Rotatable Bonds | 5 |
| Rings | 3 (2 aromatic) |
| QED | 0.601 |
| SA Score | 3.39 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H20O6 |
| Exact Mass | 392.126 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |