EGF-05265 Red
Cc1cc(N2CCC(O)(CC3Cc4cc(Cl)ccc4S(=O)(=O)N3)CC2)c(F)cc1C#N
0.354
Platform Score
2D Structure
C22H23ClFN3O3S | Exact mass: 463.1133
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
464
MW
2
HBD
3.3
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 | 464.00 Da |
| TPSA | 93.4 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 3.28 |
| Fsp3 | 0.409 |
| Rotatable Bonds | 3 |
| Rings | 4 (2 aromatic) |
| QED | 0.728 |
| SA Score | 3.70 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H23ClFN3O3S |
| Exact Mass | 463.1133 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |