EGF-01130 Yellow
Cc1c(NS(C)(=O)=O)ccc(F)c1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
0.518
Platform Score
2D Structure
C15H14Cl3FN2O4S2 | Exact mass: 473.9445
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
84
TPSA
476
MW
1
HBD
4.3
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 | 475.80 Da |
| TPSA | 83.6 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 4.29 |
| Fsp3 | 0.200 |
| Rotatable Bonds | 5 |
| Rings | 2 (2 aromatic) |
| QED | 0.699 |
| SA Score | 2.69 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H14Cl3FN2O4S2 |
| Exact Mass | 473.9445 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |