EGF-05349 Red
CC(C)N(C(=O)C1CC(NC(=O)c2c(O)coc2O)C2(C)CC1(C)C2(C)C)C(C)C
0.280
Platform Score
2D Structure
C23H36N2O5 | Exact mass: 420.2624
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
103
TPSA
421
MW
3
HBD
3.9
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 | 420.60 Da |
| TPSA | 103.0 A^2 |
| HBD | 3 |
| HBA | 5 |
| SlogP | 3.90 |
| Fsp3 | 0.739 |
| Rotatable Bonds | 5 |
| Rings | 4 (1 aromatic) |
| QED | 0.670 |
| SA Score | 5.31 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H36N2O5 |
| Exact Mass | 420.2624 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |