EGF-01761 Red
CC(C)COC(=O)N=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)cc(=NCc2cc(C(C)(C)C)no2)[nH]1
0.357
Platform Score
2D Structure
C24H30Cl2N6O3 | Exact mass: 520.1756
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
121
TPSA
521
MW
3
HBD
5.3
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 | 521.40 Da |
| TPSA | 120.7 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 5.34 |
| Fsp3 | 0.417 |
| Rotatable Bonds | 7 |
| Rings | 3 (3 aromatic) |
| QED | 0.388 |
| SA Score | 3.62 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H30Cl2N6O3 |
| Exact Mass | 520.1756 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |