EGF-06208 Red
Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ncn(C)c2Cl)sc2ccccc12
0.251
Platform Score
2D Structure
C21H17ClF3N3O3S2 | Exact mass: 515.0352
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
64
TPSA
516
MW
0
HBD
5.9
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 | 516.00 Da |
| TPSA | 64.4 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.89 |
| Fsp3 | 0.190 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.321 |
| SA Score | 2.82 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H17ClF3N3O3S2 |
| Exact Mass | 515.0352 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |