EGF-06820 Red
COc1ccc(NC(=O)c2c(Nc3ccc(C(C)(C)C)cc3)[nH]c(=O)n(O)c2=O)cn1
0.287
Platform Score
2D Structure
C21H23N5O5 | Exact mass: 425.1699
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
138
TPSA
425
MW
4
HBD
2.5
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 | 425.40 Da |
| TPSA | 138.3 A^2 |
| HBD | 4 |
| HBA | 8 |
| SlogP | 2.47 |
| Fsp3 | 0.238 |
| Rotatable Bonds | 5 |
| Rings | 3 (3 aromatic) |
| QED | 0.461 |
| SA Score | 2.73 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H23N5O5 |
| Exact Mass | 425.1699 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |