EGF-03189 Red
CC(C)[SH](=O)(NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1Cl
0.337
Platform Score
2D Structure
C22H25Cl3N4O5S | Exact mass: 562.0611
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
134
TPSA
564
MW
5
HBD
2.1
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 | 563.90 Da |
| TPSA | 133.5 A^2 |
| HBD | 5 |
| HBA | 5 |
| SlogP | 2.12 |
| Fsp3 | 0.273 |
| Rotatable Bonds | 10 |
| Rings | 2 (2 aromatic) |
| QED | 0.283 |
| SA Score | 3.18 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H25Cl3N4O5S |
| Exact Mass | 562.0611 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |