EGF-02089 Green
O=C(c1cccs1)N1CCN(c2cc(Cl)ccn2)CC1
0.615
Platform Score
2D Structure
C14H14ClN3OS | Exact mass: 307.0546
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
36
TPSA
308
MW
0
HBD
2.8
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 | 307.80 Da |
| TPSA | 36.4 A^2 |
| HBD | 0 |
| HBA | 4 |
| SlogP | 2.76 |
| Fsp3 | 0.286 |
| Rotatable Bonds | 2 |
| Rings | 3 (2 aromatic) |
| QED | 0.856 |
| SA Score | 2.09 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H14ClN3OS |
| Exact Mass | 307.0546 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | 4-Aminoquinazoline Hinge |
| InChIKey | - |
| Filter Pass | Yes |