EGF-07414 Red
NC1CCCN(c2ncc3c(n2)N(C(=O)Nc2cccc(Cl)c2)CN(C(=O)Cc2c(F)cccc2F)C3=O)C1
0.286
Platform Score
2D Structure
C26H24ClF2N7O3 | Exact mass: 555.1597
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
125
TPSA
556
MW
2
HBD
3.6
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 | 556.00 Da |
| TPSA | 124.8 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 3.56 |
| Fsp3 | 0.269 |
| Rotatable Bonds | 4 |
| Rings | 5 (3 aromatic) |
| QED | 0.504 |
| SA Score | 3.47 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H24ClF2N7O3 |
| Exact Mass | 555.1597 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |