EGF-05713 Red
NC1CCCCN(Cc2cc(CC(=O)NCCN3CCOCC3)ccc2O)C1
0.310
Platform Score
2D Structure
C21H34N4O3 | Exact mass: 390.2631
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
91
TPSA
390
MW
3
HBD
0.7
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 | 390.50 Da |
| TPSA | 91.1 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 0.70 |
| Fsp3 | 0.667 |
| Rotatable Bonds | 7 |
| Rings | 3 (1 aromatic) |
| QED | 0.635 |
| SA Score | 2.79 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H34N4O3 |
| Exact Mass | 390.2631 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |