EGF-07082 Red
CC(=O)N1CC(n2cc(C(=O)Oc3ccccc3F)nn2)C(O)CC1c1ccc(Cl)cc1
0.306
Platform Score
2D Structure
C22H20ClFN4O4 | Exact mass: 458.1157
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
98
TPSA
459
MW
1
HBD
3.2
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 | 458.90 Da |
| TPSA | 97.6 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 3.19 |
| Fsp3 | 0.273 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.476 |
| SA Score | 3.60 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H20ClFN4O4 |
| Exact Mass | 458.1157 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |