EGF-00584 Yellow
NCc1cn(S(=O)(=O)c2cccs2)c(-c2ccc(N)cc2)n1
0.545
Platform Score
2D Structure
C14H14N4O2S2 | Exact mass: 334.0558
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
104
TPSA
334
MW
2
HBD
1.9
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 | 334.40 Da |
| TPSA | 104.0 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 1.89 |
| Fsp3 | 0.071 |
| Rotatable Bonds | 4 |
| Rings | 3 (3 aromatic) |
| QED | 0.709 |
| SA Score | 2.63 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H14N4O2S2 |
| Exact Mass | 334.0558 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |