EGF-04857 Red
CCSc1nc2c(c3nc(CC)n(-c4ccc(C)cc4)c(=O)c13)CCCC2
0.356
Platform Score
2D Structure
C22H25N3OS | Exact mass: 379.1718
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
48
TPSA
380
MW
0
HBD
4.6
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 | 379.50 Da |
| TPSA | 47.8 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 4.64 |
| Fsp3 | 0.409 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.620 |
| SA Score | 2.70 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H25N3OS |
| Exact Mass | 379.1718 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |