EGF-05493 Red
CCC1CN(Cc2ccc3c(c2)CN(C(=O)c2nn(C)c4ccccc24)CCO3)CC(C)O1
0.355
Platform Score
2D Structure
C26H32N4O3 | Exact mass: 448.2474
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
60
TPSA
449
MW
0
HBD
3.6
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 | 448.60 Da |
| TPSA | 59.8 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 3.61 |
| Fsp3 | 0.462 |
| Rotatable Bonds | 4 |
| Rings | 5 (3 aromatic) |
| QED | 0.610 |
| SA Score | 3.37 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H32N4O3 |
| Exact Mass | 448.2474 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |