EGF-06614 Red
C=CC(=O)Nc1cccc(-c2cn(-c3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cn4)ccc3C)nn2)c1
0.277
Platform Score
2D Structure
C30H32N8O2 | Exact mass: 536.2648
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
108
TPSA
537
MW
2
HBD
3.8
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 | 536.60 Da |
| TPSA | 108.3 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 3.76 |
| Fsp3 | 0.233 |
| Rotatable Bonds | 8 |
| Rings | 5 (4 aromatic) |
| QED | 0.330 |
| SA Score | 2.71 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C30H32N8O2 |
| Exact Mass | 536.2648 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |