EGF-06392 Red
CC(C)N(C(=O)C(=O)O)c1cccc(-c2oc3cc(Cl)c(Cl)cc3c(=O)c2Cl)c1
0.296
Platform Score
2D Structure
C20H14Cl3NO5 | Exact mass: 452.9938
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
455
MW
1
HBD
5.2
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 | 454.70 Da |
| TPSA | 87.8 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 5.25 |
| Fsp3 | 0.150 |
| Rotatable Bonds | 3 |
| Rings | 3 (3 aromatic) |
| QED | 0.546 |
| SA Score | 2.78 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H14Cl3NO5 |
| Exact Mass | 452.9938 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |