EGF-01126 Yellow
Cc1nn(C)c2[nH]c(=O)c(N3CCN(C4(CO)CCCC4)CC3)cc12
0.529
Platform Score
2D Structure
C18H27N5O2 | Exact mass: 345.2165
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
77
TPSA
345
MW
2
HBD
1.0
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 | 345.40 Da |
| TPSA | 77.4 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 1.00 |
| Fsp3 | 0.667 |
| Rotatable Bonds | 3 |
| Rings | 4 (2 aromatic) |
| QED | 0.868 |
| SA Score | 3.07 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H27N5O2 |
| Exact Mass | 345.2165 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |