EGF-07219 Red
CN(C)C1CC(C(=O)NC(C=O)Cc2cccc(=N)[nH]2)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
0.234
Platform Score
2D Structure
C21H25Cl2N5O4S | Exact mass: 513.1004
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
514
MW
3
HBD
1.4
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 | 514.40 Da |
| TPSA | 126.4 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 1.42 |
| Fsp3 | 0.381 |
| Rotatable Bonds | 8 |
| Rings | 3 (2 aromatic) |
| QED | 0.460 |
| SA Score | 4.13 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H25Cl2N5O4S |
| Exact Mass | 513.1004 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |