EGF-07305 Red
O=S(=O)(c1cc(F)c(F)cc1F)N(Cc1cnc(Cl)s1)C12CC3CC(CC(C3)C1)C2
0.281
Platform Score
2D Structure
C20H20ClF3N2O2S2 | Exact mass: 476.0607
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
50
TPSA
477
MW
0
HBD
5.4
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 | 477.00 Da |
| TPSA | 50.3 A^2 |
| HBD | 0 |
| HBA | 4 |
| SlogP | 5.37 |
| Fsp3 | 0.550 |
| Rotatable Bonds | 5 |
| Rings | 6 (2 aromatic) |
| QED | 0.545 |
| SA Score | 4.31 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H20ClF3N2O2S2 |
| Exact Mass | 476.0607 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |