EGF-06521 Red
Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc(F)c(N4CCOCC4)cc32)c(C)c1
0.278
Platform Score
2D Structure
C28H26ClFN2O4S | Exact mass: 540.1286
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
69
TPSA
541
MW
0
HBD
5.1
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 | 541.00 Da |
| TPSA | 68.6 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.13 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 5 |
| Rings | 5 (4 aromatic) |
| QED | 0.351 |
| SA Score | 2.59 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H26ClFN2O4S |
| Exact Mass | 540.1286 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |