EGF-07241 Red
COc1ccc(C2=NN(C3CCN(CC(=O)N4CCCN(C)CC4)C3)C(=O)C2(C)C)cc1OC
0.327
Platform Score
2D Structure
C25H37N5O4 | Exact mass: 471.2846
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
78
TPSA
472
MW
0
HBD
1.5
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 | 471.60 Da |
| TPSA | 77.9 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 1.51 |
| Fsp3 | 0.640 |
| Rotatable Bonds | 6 |
| Rings | 4 (1 aromatic) |
| QED | 0.626 |
| SA Score | 3.21 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H37N5O4 |
| Exact Mass | 471.2846 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |