EGF-05485 Red
Cc1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nn1Cc1coc(-c2ccccc2Cl)n1
0.272
Platform Score
2D Structure
C28H32ClN5O | Exact mass: 489.2295
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
50
TPSA
490
MW
0
HBD
5.7
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 | 490.10 Da |
| TPSA | 50.3 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.74 |
| Fsp3 | 0.357 |
| Rotatable Bonds | 7 |
| Rings | 5 (4 aromatic) |
| QED | 0.331 |
| SA Score | 2.59 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H32ClN5O |
| Exact Mass | 489.2295 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |