EGF-06720 Red
Cn1cnc([N+](=O)[O-])c1N1CCN(CC(=O)NC(c2ccc(Cl)cc2)C2CCCCC2)CC1
0.313
Platform Score
2D Structure
C23H31ClN6O3 | Exact mass: 474.2146
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
96
TPSA
475
MW
1
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 | 475.00 Da |
| TPSA | 96.5 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 3.54 |
| Fsp3 | 0.565 |
| Rotatable Bonds | 7 |
| Rings | 4 (2 aromatic) |
| QED | 0.487 |
| SA Score | 3.07 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H31ClN6O3 |
| Exact Mass | 474.2146 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |