EGF-06303 Red
CSc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)CC(F)(F)F)c3F)c2n1
0.274
Platform Score
2D Structure
C16H11F5N4O3S2 | Exact mass: 466.0193
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
105
TPSA
466
MW
2
HBD
3.5
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 | 466.40 Da |
| TPSA | 104.8 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 3.49 |
| Fsp3 | 0.188 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.327 |
| SA Score | 3.16 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C16H11F5N4O3S2 |
| Exact Mass | 466.0193 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |