EGF-03722 Red
COC(=O)COc1ccc(N2CCN(C(=O)C(=O)N(C)C(C)(C)C(=O)NC3CCCC3)C2=O)cc1
0.347
Platform Score
2D Structure
C24H32N4O7 | Exact mass: 488.2271
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
488
MW
1
HBD
1.3
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 | 488.50 Da |
| TPSA | 125.6 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 1.30 |
| Fsp3 | 0.542 |
| Rotatable Bonds | 7 |
| Rings | 3 (1 aromatic) |
| QED | 0.453 |
| SA Score | 2.93 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H32N4O7 |
| Exact Mass | 488.2271 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |