EGF-06565 Red
CC(C)N1CCc2c(sc(NC(=O)C(C)N3C(=O)c4ccccc4C3=O)c2C(N)=O)C1
0.341
Platform Score
2D Structure
C22H24N4O4S | Exact mass: 440.1518
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
113
TPSA
440
MW
2
HBD
2.2
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 | 440.50 Da |
| TPSA | 112.8 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 2.24 |
| Fsp3 | 0.364 |
| Rotatable Bonds | 5 |
| Rings | 4 (2 aromatic) |
| QED | 0.693 |
| SA Score | 2.94 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H24N4O4S |
| Exact Mass | 440.1518 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |