EGF-06791 Red
COc1ccc(OC)c(C=CC(=O)N2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)c1
0.339
Platform Score
2D Structure
C22H23Cl2N3O3S | Exact mass: 479.0837
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
54
TPSA
480
MW
1
HBD
4.6
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 | 480.40 Da |
| TPSA | 54.0 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 4.57 |
| Fsp3 | 0.273 |
| Rotatable Bonds | 5 |
| Rings | 3 (2 aromatic) |
| QED | 0.500 |
| SA Score | 2.32 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H23Cl2N3O3S |
| Exact Mass | 479.0837 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |