EGF-05743 Red
CC1CC(=O)C=C(C(=O)CCC2CC(=O)NC(=O)C2)C12CO2
0.260
Platform Score
2D Structure
C16H19NO5 | Exact mass: 305.1263
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
305
MW
1
HBD
0.7
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 | 305.30 Da |
| TPSA | 92.8 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 0.69 |
| Fsp3 | 0.625 |
| Rotatable Bonds | 4 |
| Rings | 3 (0 aromatic) |
| QED | 0.609 |
| SA Score | 4.50 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C16H19NO5 |
| Exact Mass | 305.1263 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |