EGF-06594 Red
O=C(O)CC(Cc1ccccc1)NC(=O)CCc1nc(-c2ccccc2)n(Cc2ccc(Cl)cc2)n1
0.252
Platform Score
2D Structure
C28H27ClN4O3 | Exact mass: 502.1772
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
503
MW
2
HBD
4.8
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 | 503.00 Da |
| TPSA | 97.1 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.78 |
| Fsp3 | 0.214 |
| Rotatable Bonds | 11 |
| Rings | 4 (4 aromatic) |
| QED | 0.307 |
| SA Score | 2.81 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H27ClN4O3 |
| Exact Mass | 502.1772 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |