EGF-07275 Red
Cc1cn(Cc2cc(F)ccc2F)c2c(-c3csc(N(C)S(N)(=O)=O)n3)cc(F)cc12
0.308
Platform Score
2D Structure
C20H17F3N4O2S2 | Exact mass: 466.0745
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
466
MW
1
HBD
4.2
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 | 466.50 Da |
| TPSA | 81.2 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 4.18 |
| Fsp3 | 0.150 |
| Rotatable Bonds | 5 |
| Rings | 4 (4 aromatic) |
| QED | 0.479 |
| SA Score | 2.99 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H17F3N4O2S2 |
| Exact Mass | 466.0745 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |