EGF-05093 Red
CCOc1ccccc1C(=O)NN=C(CCC(=O)O)c1ccc(Cl)cc1
0.351
Platform Score
2D Structure
C19H19ClN2O4 | Exact mass: 374.1033
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
375
MW
2
HBD
3.7
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 | 374.80 Da |
| TPSA | 88.0 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 3.74 |
| Fsp3 | 0.211 |
| Rotatable Bonds | 8 |
| Rings | 2 (2 aromatic) |
| QED | 0.544 |
| SA Score | 2.07 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H19ClN2O4 |
| Exact Mass | 374.1033 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |