EGF-03213 Red
CN=c1nc(SCSc2n[nH]c(=N)s2)c(Cl)c[nH]1
0.356
Platform Score
2D Structure
C8H9ClN6S3 | Exact mass: 319.9739
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
94
TPSA
321
MW
3
HBD
1.7
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 | 320.90 Da |
| TPSA | 93.6 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 1.70 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 4 |
| Rings | 2 (2 aromatic) |
| QED | 0.454 |
| SA Score | 4.48 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C8H9ClN6S3 |
| Exact Mass | 319.9739 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |