EGF-05014 Red
CCN(CC)c1ccc(N2C(=O)c3sc(C(N)=O)cc3C2c2ccc(Cl)c(Cl)c2)cc1
0.278
Platform Score
2D Structure
C23H21Cl2N3O2S | Exact mass: 473.0732
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
67
TPSA
474
MW
1
HBD
5.8
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 | 474.40 Da |
| TPSA | 66.6 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 5.75 |
| Fsp3 | 0.217 |
| Rotatable Bonds | 6 |
| Rings | 4 (3 aromatic) |
| QED | 0.495 |
| SA Score | 3.17 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H21Cl2N3O2S |
| Exact Mass | 473.0732 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |