EGF-00079 Green
COc1cc2[nH]cnc(=Nc3cc(Cl)c(Cl)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C
0.567
Platform Score
2D Structure
C21H20Cl3N5O2 | Exact mass: 479.0683
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
83
TPSA
481
MW
2
HBD
4.8
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 | 480.80 Da |
| TPSA | 82.6 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.82 |
| Fsp3 | 0.190 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.391 |
| SA Score | 3.22 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H20Cl3N5O2 |
| Exact Mass | 479.0683 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |