EGF-06004 Red
CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)C(CC(O)=NO)CC(C)C
0.208
Platform Score
2D Structure
C26H35N3O5 | Exact mass: 469.2577
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
131
TPSA
470
MW
5
HBD
3.4
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 | 469.60 Da |
| TPSA | 131.2 A^2 |
| HBD | 5 |
| HBA | 5 |
| SlogP | 3.42 |
| Fsp3 | 0.423 |
| Rotatable Bonds | 12 |
| Rings | 2 (2 aromatic) |
| QED | 0.141 |
| SA Score | 3.65 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H35N3O5 |
| Exact Mass | 469.2577 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |