EGF-06163 Red
CCOC(=O)C1=C(C)N=C(c2ccccc2)C(C(=O)c2ccc(OC)cc2)C1(O)C(F)(F)F
0.301
Platform Score
2D Structure
C24H22F3NO5 | Exact mass: 461.145
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
85
TPSA
461
MW
1
HBD
4.1
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 | 461.40 Da |
| TPSA | 85.2 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 4.13 |
| Fsp3 | 0.292 |
| Rotatable Bonds | 6 |
| Rings | 3 (2 aromatic) |
| QED | 0.517 |
| SA Score | 3.51 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H22F3NO5 |
| Exact Mass | 461.145 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |