EGF-00623 Green
CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(N2CCCC2(N)C(=O)O)c(F)c1
0.556
Platform Score
2D Structure
C18H19ClFN3O4S | Exact mass: 427.0769
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
104
TPSA
428
MW
2
HBD
2.6
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 | 427.90 Da |
| TPSA | 103.9 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 2.64 |
| Fsp3 | 0.278 |
| Rotatable Bonds | 5 |
| Rings | 3 (2 aromatic) |
| QED | 0.760 |
| SA Score | 3.23 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H19ClFN3O4S |
| Exact Mass | 427.0769 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |