EGF-01177 Yellow
S=c1oc(-c2ccc(Br)cc2)nn1CN1CCN(c2ncccn2)CC1
0.541
Platform Score
2D Structure
C17H17BrN6OS | Exact mass: 432.0368
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
63
TPSA
433
MW
0
HBD
3.2
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 | 433.30 Da |
| TPSA | 63.2 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 3.20 |
| Fsp3 | 0.294 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.586 |
| SA Score | 2.47 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H17BrN6OS |
| Exact Mass | 432.0368 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |