EGF-05648 Red
CC(CCC(=O)NC(Cc1cccc2ccccc12)C(N)=O)C1CCC2c3ccc(O)cc3CCC21C
0.224
Platform Score
2D Structure
C32H38N2O3 | Exact mass: 498.2882
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
92
TPSA
499
MW
3
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 | 498.70 Da |
| TPSA | 92.4 A^2 |
| HBD | 3 |
| HBA | 3 |
| SlogP | 5.62 |
| Fsp3 | 0.438 |
| Rotatable Bonds | 8 |
| Rings | 5 (3 aromatic) |
| QED | 0.376 |
| SA Score | 3.81 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C32H38N2O3 |
| Exact Mass | 498.2882 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |