EGF-06979 Red
CCSCC(C(=O)O)n1c(C)c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)ccc2[n+]1[O-]
0.273
Platform Score
2D Structure
C20H22ClN3O5S2 | Exact mass: 483.0689
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
115
TPSA
484
MW
2
HBD
3.1
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 | 484.00 Da |
| TPSA | 115.3 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 3.09 |
| Fsp3 | 0.300 |
| Rotatable Bonds | 9 |
| Rings | 3 (3 aromatic) |
| QED | 0.357 |
| SA Score | 3.54 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H22ClN3O5S2 |
| Exact Mass | 483.0689 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |