EGF-05958 Red
COc1ccc(CN2CC3(Oc4cccc5cccc(c45)C3=O)c3cc([N+](=O)[O-])ccc32)cc1
0.232
Platform Score
2D Structure
C27H20N2O5 | Exact mass: 452.1372
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
82
TPSA
452
MW
0
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 | 452.50 Da |
| TPSA | 81.9 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.25 |
| Fsp3 | 0.148 |
| Rotatable Bonds | 4 |
| Rings | 6 (4 aromatic) |
| QED | 0.311 |
| SA Score | 3.63 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H20N2O5 |
| Exact Mass | 452.1372 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |