EGF-00397 Green
O=S(=O)(c1ccc(Cl)s1)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2Cl)CC1
0.564
Platform Score
2D Structure
C14H12Cl4N2O4S3 | Exact mass: 507.8713
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
75
TPSA
510
MW
0
HBD
4.1
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 | 510.30 Da |
| TPSA | 74.8 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 4.06 |
| Fsp3 | 0.286 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.582 |
| SA Score | 2.44 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H12Cl4N2O4S3 |
| Exact Mass | 507.8713 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |