EGF-05790 Red
CNC(C)C(=O)NC1C(=O)N(Cc2ccccc2)CCN(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O
0.253
Platform Score
2D Structure
C32H32ClN5O4 | Exact mass: 585.2143
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
104
TPSA
586
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 | 586.10 Da |
| TPSA | 103.8 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 3.45 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 8 |
| Rings | 5 (4 aromatic) |
| QED | 0.244 |
| SA Score | 3.43 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C32H32ClN5O4 |
| Exact Mass | 585.2143 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |