EGF-06015 Red
COc1ccc(C(=O)NC(Cc2ccccc2)C(=O)NC2CCN(C(=O)c3ccccc3)CC2)cc1
0.343
Platform Score
2D Structure
C29H31N3O4 | Exact mass: 485.2315
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
486
MW
2
HBD
3.5
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 | 485.60 Da |
| TPSA | 87.7 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 3.46 |
| Fsp3 | 0.276 |
| Rotatable Bonds | 8 |
| Rings | 4 (3 aromatic) |
| QED | 0.512 |
| SA Score | 2.43 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C29H31N3O4 |
| Exact Mass | 485.2315 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |