EGF-04431 Red
O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(Oc2ccc(C(F)(F)F)cc2)CCCN(CCC(F)(F)F)C1
0.281
Platform Score
2D Structure
C26H28F6N4O4 | Exact mass: 574.2015
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
79
TPSA
574
MW
0
HBD
5.1
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 | 574.50 Da |
| TPSA | 79.2 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.13 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 7 |
| Rings | 4 (2 aromatic) |
| QED | 0.259 |
| SA Score | 3.34 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H28F6N4O4 |
| Exact Mass | 574.2015 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |