EGF-06684 Red
O=C(CC1(C2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC2CCCN2C1=O
0.349
Platform Score
2D Structure
C22H28ClN3O4S | Exact mass: 465.1489
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
78
TPSA
466
MW
0
HBD
3.5
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 | 466.00 Da |
| TPSA | 78.0 A^2 |
| HBD | 0 |
| HBA | 4 |
| SlogP | 3.48 |
| Fsp3 | 0.636 |
| Rotatable Bonds | 5 |
| Rings | 5 (1 aromatic) |
| QED | 0.667 |
| SA Score | 3.66 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H28ClN3O4S |
| Exact Mass | 465.1489 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |