EGF-01744 Red
CC(CN)NC(O)c1cc(=NC(=O)N=c2c(Cl)c[nH]cc2Cl)n(-c2ccccc2)[nH]1
0.354
Platform Score
2D Structure
C19H21Cl2N7O2 | Exact mass: 449.1134
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
137
TPSA
450
MW
5
HBD
2.0
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 | 450.30 Da |
| TPSA | 136.6 A^2 |
| HBD | 5 |
| HBA | 5 |
| SlogP | 1.99 |
| Fsp3 | 0.211 |
| Rotatable Bonds | 5 |
| Rings | 3 (3 aromatic) |
| QED | 0.380 |
| SA Score | 4.59 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H21Cl2N7O2 |
| Exact Mass | 449.1134 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |