EGF-06062 Red
COc1ccccc1OCCN1CCN(c2cccc3c2C(=O)N(C(=O)OCc2ccccc2)C3=O)CC1
0.314
Platform Score
2D Structure
C29H29N3O6 | Exact mass: 515.2056
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
89
TPSA
516
MW
0
HBD
3.8
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 | 515.60 Da |
| TPSA | 88.6 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 3.83 |
| Fsp3 | 0.276 |
| Rotatable Bonds | 8 |
| Rings | 5 (3 aromatic) |
| QED | 0.419 |
| SA Score | 2.42 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C29H29N3O6 |
| Exact Mass | 515.2056 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |