EGF-05151 Red
CCOc1ccc(NC(=O)C[n+]2c(C(C)C)cc(-c3ccccc3)cc2C(C)C)cc1O
0.287
Platform Score
2D Structure
C27H33N2O3+ | Exact mass: 433.2486
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
62
TPSA
434
MW
2
HBD
5.6
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 | 433.60 Da |
| TPSA | 62.4 A^2 |
| HBD | 2 |
| HBA | 3 |
| SlogP | 5.63 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 8 |
| Rings | 3 (3 aromatic) |
| QED | 0.453 |
| SA Score | 2.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H33N2O3+ |
| Exact Mass | 433.2486 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |