EGF-06430 Red
CC12CCC(O)CC1COC1(O)CC(=O)C3=CC(=O)OC(c4ccoc4)C4(C)C3=C1C2CC4O
0.240
Platform Score
2D Structure
C26H30O8 | Exact mass: 470.1941
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
470
MW
3
HBD
2.4
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 | 470.50 Da |
| TPSA | 126.4 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 2.35 |
| Fsp3 | 0.615 |
| Rotatable Bonds | 1 |
| Rings | 6 (1 aromatic) |
| QED | 0.534 |
| SA Score | 5.41 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H30O8 |
| Exact Mass | 470.1941 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |