EGF-00309 Yellow
O=S(=O)(c1ccc(OCC(O)CN2CCOCC2)c(Cl)c1)N1CCOCC1
0.545
Platform Score
2D Structure
C17H25ClN2O6S | Exact mass: 420.1122
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
421
MW
1
HBD
0.4
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 | 420.90 Da |
| TPSA | 88.5 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 0.43 |
| Fsp3 | 0.647 |
| Rotatable Bonds | 7 |
| Rings | 3 (1 aromatic) |
| QED | 0.684 |
| SA Score | 2.70 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H25ClN2O6S |
| Exact Mass | 420.1122 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |