EGF-06173 Red
N=c1nc[nH]c2onc(-c3ccc(NC(=O)N4CCc5cc(OCCCF)c(F)cc54)cc3)c12
0.253
Platform Score
2D Structure
C23H20F2N6O3 | Exact mass: 466.1565
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
120
TPSA
466
MW
3
HBD
4.2
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 | 466.40 Da |
| TPSA | 120.1 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 4.17 |
| Fsp3 | 0.217 |
| Rotatable Bonds | 6 |
| Rings | 5 (4 aromatic) |
| QED | 0.369 |
| SA Score | 3.25 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H20F2N6O3 |
| Exact Mass | 466.1565 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |