EGF-04864 Red
COc1cc(NC(=O)c2ccc(-c3ncco3)c3c2N(C)C(=O)C3=O)cc(OC)c1OC
0.331
Platform Score
2D Structure
C22H19N3O7 | Exact mass: 437.1223
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
120
TPSA
437
MW
1
HBD
2.8
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 | 437.40 Da |
| TPSA | 120.2 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 2.78 |
| Fsp3 | 0.182 |
| Rotatable Bonds | 6 |
| Rings | 4 (3 aromatic) |
| QED | 0.585 |
| SA Score | 2.78 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H19N3O7 |
| Exact Mass | 437.1223 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |