EGF-06426 Red
CN(C)c1ccc(C(C(=O)NCCCNCCCNCCCNC(=O)Cc2ccccc2O)c2ccccc2)cc1
0.244
Platform Score
2D Structure
C33H45N5O3 | Exact mass: 559.3522
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
560
MW
5
HBD
3.4
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 | 559.80 Da |
| TPSA | 105.7 A^2 |
| HBD | 5 |
| HBA | 6 |
| SlogP | 3.41 |
| Fsp3 | 0.394 |
| Rotatable Bonds | 18 |
| Rings | 3 (3 aromatic) |
| QED | 0.153 |
| SA Score | 3.03 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C33H45N5O3 |
| Exact Mass | 559.3522 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |