EGF-06933 Red
Cc1ccc(S(=O)(=O)N2C=NCC2CC(=O)NC(Cc2ccc(Cl)cc2Cl)C(N)=O)cc1
0.300
Platform Score
2D Structure
C21H22Cl2N4O4S | Exact mass: 496.0739
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
497
MW
2
HBD
2.3
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 | 497.40 Da |
| TPSA | 121.9 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 2.31 |
| Fsp3 | 0.286 |
| Rotatable Bonds | 8 |
| Rings | 3 (2 aromatic) |
| QED | 0.581 |
| SA Score | 3.49 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H22Cl2N4O4S |
| Exact Mass | 496.0739 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |