EGF-04099 Red
CCC(=O)NCc1cnn(-c2cc(=NC(C)C)c(C(=O)NC3CCC(NC(C)=N)CC3)c[nH]2)c1
0.298
Platform Score
2D Structure
C24H36N8O2 | Exact mass: 468.2961
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
140
TPSA
469
MW
5
HBD
2.2
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 | 468.60 Da |
| TPSA | 140.0 A^2 |
| HBD | 5 |
| HBA | 6 |
| SlogP | 2.16 |
| Fsp3 | 0.542 |
| Rotatable Bonds | 8 |
| Rings | 3 (2 aromatic) |
| QED | 0.299 |
| SA Score | 3.43 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H36N8O2 |
| Exact Mass | 468.2961 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |