EGF-05062 Red
CC(C)=NC(=O)N1CCC(N2CC(CC#N)(n3nc(-c4c[nH]c(=N)c(OC(F)F)c4)cc3C3CC(F)(F)C3)C2)CC1
0.218
Platform Score
2D Structure
C27H32F4N8O2 | Exact mass: 576.2584
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
577
MW
2
HBD
4.5
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 | 576.60 Da |
| TPSA | 126.4 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 4.46 |
| Fsp3 | 0.593 |
| Rotatable Bonds | 7 |
| Rings | 5 (2 aromatic) |
| QED | 0.372 |
| SA Score | 4.18 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H32F4N8O2 |
| Exact Mass | 576.2584 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |