EGF-04084 Red
CC(C)CC(NC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCC3)C(=O)NCC(=O)NCc1ccc(Cl)cc1
0.332
Platform Score
2D Structure
C28H33ClN6O4 | Exact mass: 552.2252
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
134
TPSA
553
MW
4
HBD
3.4
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 | 553.10 Da |
| TPSA | 134.2 A^2 |
| HBD | 4 |
| HBA | 6 |
| SlogP | 3.36 |
| Fsp3 | 0.393 |
| Rotatable Bonds | 9 |
| Rings | 4 (3 aromatic) |
| QED | 0.323 |
| SA Score | 2.96 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H33ClN6O4 |
| Exact Mass | 552.2252 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |