EGF-01228 Yellow
O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
0.522
Platform Score
2D Structure
C18H19ClN2O6S2 | Exact mass: 458.0373
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
459
MW
0
HBD
1.8
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 | 458.90 Da |
| TPSA | 93.2 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 1.81 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 4 |
| Rings | 4 (2 aromatic) |
| QED | 0.693 |
| SA Score | 2.13 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H19ClN2O6S2 |
| Exact Mass | 458.0373 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |