EGF-06716 Red
CCNc1ccc2c(c1)CCN(CC(=O)NCc1ccccc1)C2Cc1ccc(OC)c(OC)c1
0.311
Platform Score
2D Structure
C29H35N3O3 | Exact mass: 473.2678
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
63
TPSA
474
MW
2
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 | 473.60 Da |
| TPSA | 62.8 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.59 |
| Fsp3 | 0.345 |
| Rotatable Bonds | 10 |
| Rings | 4 (3 aromatic) |
| QED | 0.451 |
| SA Score | 2.77 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C29H35N3O3 |
| Exact Mass | 473.2678 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |