EGF-07423 Red
OCCCCCN=c1[nH]cnc2c1nnn2C1OC(CO)CCC2OCCC21
0.212
Platform Score
2D Structure
C18H28N6O4 | Exact mass: 392.2172
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
131
TPSA
392
MW
3
HBD
0.3
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 | 392.50 Da |
| TPSA | 130.7 A^2 |
| HBD | 3 |
| HBA | 9 |
| SlogP | 0.29 |
| Fsp3 | 0.778 |
| Rotatable Bonds | 7 |
| Rings | 4 (2 aromatic) |
| QED | 0.577 |
| SA Score | 4.70 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H28N6O4 |
| Exact Mass | 392.2172 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |