EGF-07179 Red
CC(NC(=O)C(F)(F)F)c1ccc(OC2CCN(c3ncnc(OCC(C)(C)O)c3Cl)C2)cc1
0.312
Platform Score
2D Structure
C22H26ClF3N4O4 | Exact mass: 502.1595
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
503
MW
2
HBD
3.7
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 | 502.90 Da |
| TPSA | 96.8 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 3.68 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 8 |
| Rings | 3 (2 aromatic) |
| QED | 0.568 |
| SA Score | 3.63 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H26ClF3N4O4 |
| Exact Mass | 502.1595 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |