EGF-04884 Red
CC(N=c1cccc(-c2cc(=NC3CCC(N)CC3)[nH]cc2Cl)[nH]1)c1ccccc1
0.292
Platform Score
2D Structure
C24H28ClN5 | Exact mass: 421.2033
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
82
TPSA
422
MW
3
HBD
4.5
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 | 422.00 Da |
| TPSA | 82.3 A^2 |
| HBD | 3 |
| HBA | 3 |
| SlogP | 4.50 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.569 |
| SA Score | 4.02 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H28ClN5 |
| Exact Mass | 421.2033 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |