EGF-05853 Red
Cn1nc2c(n1)C1(C)CCC3C(CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC43C)C1C2
0.197
Platform Score
2D Structure
C26H39N3O6 | Exact mass: 489.2839
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
130
TPSA
490
MW
4
HBD
1.0
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 | 489.60 Da |
| TPSA | 130.1 A^2 |
| HBD | 4 |
| HBA | 9 |
| SlogP | 0.98 |
| Fsp3 | 0.846 |
| Rotatable Bonds | 3 |
| Rings | 6 (1 aromatic) |
| QED | 0.462 |
| SA Score | 5.07 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H39N3O6 |
| Exact Mass | 489.2839 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |