EGF-06984 Red
Cc1nn(CCO)c2ccc(-c3cnc(=N)[nH]c3N3CCC(F)(F)C3)cc12
0.330
Platform Score
2D Structure
C18H20F2N6O | Exact mass: 374.1667
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
94
TPSA
374
MW
3
HBD
2.0
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 | 374.40 Da |
| TPSA | 93.8 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 2.05 |
| Fsp3 | 0.389 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.652 |
| SA Score | 3.40 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H20F2N6O |
| Exact Mass | 374.1667 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |