EGF-00090 Green
COc1cc2c(=Nc3ccc(Cl)c(Cl)c3)[nH]cnc2cc1OCC1CN(C)CCO1
0.640
Platform Score
2D Structure
C21H22Cl2N4O3 | Exact mass: 448.1069
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
72
TPSA
449
MW
1
HBD
3.8
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 | 449.30 Da |
| TPSA | 72.0 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 3.82 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.642 |
| SA Score | 3.44 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H22Cl2N4O3 |
| Exact Mass | 448.1069 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |