EGF-05361 Red
COc1ccc(C(F)(F)F)cc1-c1cc(C(F)(F)F)cc2c(-n3cc(-n4cccn4)nn3)ccnc12
0.239
Platform Score
2D Structure
C23H14F6N6O | Exact mass: 504.1133
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
71
TPSA
504
MW
0
HBD
5.7
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 | 504.40 Da |
| TPSA | 70.7 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 5.71 |
| Fsp3 | 0.130 |
| Rotatable Bonds | 4 |
| Rings | 5 (5 aromatic) |
| QED | 0.293 |
| SA Score | 3.07 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H14F6N6O |
| Exact Mass | 504.1133 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |