EGF-05805 Red
CCc1ccc(N2C(=O)N3C(c4cccc(Cl)c4)c4c(c(O)n(C(C)(C)C)c4O)C3(C)C2=O)cc1
0.243
Platform Score
2D Structure
C27H28ClN3O4 | Exact mass: 493.1768
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
86
TPSA
494
MW
2
HBD
5.7
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 | 494.00 Da |
| TPSA | 86.0 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 5.66 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 3 |
| Rings | 5 (3 aromatic) |
| QED | 0.461 |
| SA Score | 3.85 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H28ClN3O4 |
| Exact Mass | 493.1768 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |