EGF-05087 Red
O=c1c2sc3cccc(Cl)c3c2nnn1C1OC(CO)C(O)C1O
0.243
Platform Score
2D Structure
C14H12ClN3O5S | Exact mass: 369.0186
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
118
TPSA
370
MW
3
HBD
0.3
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 | 369.80 Da |
| TPSA | 117.7 A^2 |
| HBD | 3 |
| HBA | 9 |
| SlogP | 0.27 |
| Fsp3 | 0.357 |
| Rotatable Bonds | 2 |
| Rings | 4 (3 aromatic) |
| QED | 0.593 |
| SA Score | 3.91 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H12ClN3O5S |
| Exact Mass | 369.0186 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |