EGF-06065 Red
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)c(F)c2)c1C#Cc1ccc(=N)[nH]c1
0.285
Platform Score
2D Structure
C31H27FN6O2 | Exact mass: 534.218
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
535
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 | 534.60 Da |
| TPSA | 106.0 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 3.65 |
| Fsp3 | 0.194 |
| Rotatable Bonds | 4 |
| Rings | 5 (4 aromatic) |
| QED | 0.390 |
| SA Score | 3.04 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C31H27FN6O2 |
| Exact Mass | 534.218 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |