EGF-06751 Red
Cc1c(C)n(Cc2ccc(F)cc2)c2cc(S(=O)(=O)NCc3ccco3)ccc12
0.336
Platform Score
2D Structure
C22H21FN2O3S | Exact mass: 412.1257
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
64
TPSA
412
MW
1
HBD
4.5
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 | 412.50 Da |
| TPSA | 64.2 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 4.52 |
| Fsp3 | 0.182 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.507 |
| SA Score | 2.27 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H21FN2O3S |
| Exact Mass | 412.1257 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |