EGF-00803 Green
O=C(Nc1ccc(Cl)cc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1
0.620
Platform Score
2D Structure
C18H18ClFN2O3S | Exact mass: 396.0711
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
66
TPSA
397
MW
1
HBD
3.5
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 | 396.90 Da |
| TPSA | 66.5 A^2 |
| HBD | 1 |
| HBA | 3 |
| SlogP | 3.52 |
| Fsp3 | 0.278 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.859 |
| SA Score | 1.87 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H18ClFN2O3S |
| Exact Mass | 396.0711 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |