EGF-07421 Red
CCN1CC2C(=C(C)C(=O)O)C(=O)CCC23OC2(C)OC13C2(C)C
0.288
Platform Score
2D Structure
C18H25NO5 | Exact mass: 335.1733
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
335
MW
1
HBD
1.9
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 | 335.40 Da |
| TPSA | 76.1 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 1.94 |
| Fsp3 | 0.778 |
| Rotatable Bonds | 2 |
| Rings | 5 (0 aromatic) |
| QED | 0.777 |
| SA Score | 6.46 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H25NO5 |
| Exact Mass | 335.1733 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |