EGF-00438 Green
CN1CCN(Cc2cnc(Cl)c(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)c2)CC1
0.573
Platform Score
2D Structure
C17H18Cl4N4O2S | Exact mass: 481.9905
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
66
TPSA
484
MW
1
HBD
4.2
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 | 484.20 Da |
| TPSA | 65.5 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 4.24 |
| Fsp3 | 0.353 |
| Rotatable Bonds | 5 |
| Rings | 3 (2 aromatic) |
| QED | 0.644 |
| SA Score | 2.49 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H18Cl4N4O2S |
| Exact Mass | 481.9905 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |