EGF-05392 Red
N=c1[nH]c(SCc2ccccc2)c(-c2ccc(Cl)cc2)[nH]1
0.358
Platform Score
2D Structure
C16H14ClN3S | Exact mass: 315.0597
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
55
TPSA
316
MW
3
HBD
4.4
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 | 315.80 Da |
| TPSA | 55.4 A^2 |
| HBD | 3 |
| HBA | 2 |
| SlogP | 4.43 |
| Fsp3 | 0.062 |
| Rotatable Bonds | 4 |
| Rings | 3 (3 aromatic) |
| QED | 0.613 |
| SA Score | 2.55 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C16H14ClN3S |
| Exact Mass | 315.0597 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |