EGF-03574 Red
CCN1CCN(c2ncc3nc[nH]c(=Nc4cc(C(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)ccc4C)c3n2)CC1
0.338
Platform Score
2D Structure
C27H26ClF3N8O | Exact mass: 570.187
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
102
TPSA
571
MW
2
HBD
5.0
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 | 571.00 Da |
| TPSA | 102.4 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 4.96 |
| Fsp3 | 0.296 |
| Rotatable Bonds | 5 |
| Rings | 5 (4 aromatic) |
| QED | 0.352 |
| SA Score | 3.08 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H26ClF3N8O |
| Exact Mass | 570.187 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |