EGF-06292 Red
COc1ccc(C(c2nnnn2C2CCCC2)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1
0.328
Platform Score
2D Structure
C27H33N7O2 | Exact mass: 487.2696
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
488
MW
1
HBD
3.3
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 | 487.60 Da |
| TPSA | 88.4 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 3.31 |
| Fsp3 | 0.481 |
| Rotatable Bonds | 6 |
| Rings | 6 (3 aromatic) |
| QED | 0.571 |
| SA Score | 3.63 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H33N7O2 |
| Exact Mass | 487.2696 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |