EGF-04929 Red
CC1(CN)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1N
0.303
Platform Score
2D Structure
C19H22F2N4O3 | Exact mass: 392.166
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
115
TPSA
392
MW
3
HBD
1.4
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 | 392.40 Da |
| TPSA | 114.6 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 1.43 |
| Fsp3 | 0.474 |
| Rotatable Bonds | 4 |
| Rings | 4 (2 aromatic) |
| QED | 0.725 |
| SA Score | 3.83 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H22F2N4O3 |
| Exact Mass | 392.166 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |