EGF-00587 Yellow
O=S(=O)(c1ccc(Cl)cc1Cl)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2Cl)CC1
0.524
Platform Score
2D Structure
C16H13Cl5N2O4S2 | Exact mass: 535.8759
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
75
TPSA
539
MW
0
HBD
4.7
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 | 538.70 Da |
| TPSA | 74.8 A^2 |
| HBD | 0 |
| HBA | 4 |
| SlogP | 4.65 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.532 |
| SA Score | 2.33 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C16H13Cl5N2O4S2 |
| Exact Mass | 535.8759 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |