EGF-05063 Red
CC(=O)Nc1ccc(N2C(=O)N(CC(=O)c3ccccc3)C3(CCN(C(=O)OCc4ccccc4)CC3)C2=O)cc1
0.248
Platform Score
2D Structure
C31H30N4O6 | Exact mass: 554.2165
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
116
TPSA
555
MW
1
HBD
4.5
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 | 554.60 Da |
| TPSA | 116.3 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 4.47 |
| Fsp3 | 0.258 |
| Rotatable Bonds | 7 |
| Rings | 5 (3 aromatic) |
| QED | 0.340 |
| SA Score | 3.00 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C31H30N4O6 |
| Exact Mass | 554.2165 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |