EGF-06653 Red
O=C(Nc1ccc(Cl)c(Cl)c1)N1CC=C(c2ncc(C(O)CO)cc2Cl)CC1
0.332
Platform Score
2D Structure
C19H18Cl3N3O3 | Exact mass: 441.0414
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
86
TPSA
443
MW
3
HBD
4.4
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 | 442.70 Da |
| TPSA | 85.7 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 4.39 |
| Fsp3 | 0.263 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.655 |
| SA Score | 3.11 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H18Cl3N3O3 |
| Exact Mass | 441.0414 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |