EGF-01729 Yellow
O=C1CN(C(=O)COC(=O)c2cc(Cl)ccc2O)c2ccccc2N1
0.536
Platform Score
2D Structure
C17H13ClN2O5 | Exact mass: 360.0513
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
96
TPSA
361
MW
2
HBD
2.2
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 | 360.80 Da |
| TPSA | 95.9 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 2.19 |
| Fsp3 | 0.118 |
| Rotatable Bonds | 3 |
| Rings | 3 (2 aromatic) |
| QED | 0.818 |
| SA Score | 2.20 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H13ClN2O5 |
| Exact Mass | 360.0513 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |