EGF-00178 Green
Oc1c(Cl)cc(Cl)cc1C=NN=c1[nH]nnn1Nc1cccc(Cl)c1
0.563
Platform Score
2D Structure
C14H10Cl3N7O | Exact mass: 397.0012
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
104
TPSA
399
MW
3
HBD
3.1
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 | 398.60 Da |
| TPSA | 103.5 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 3.08 |
| Fsp3 | - |
| Rotatable Bonds | 4 |
| Rings | 3 (3 aromatic) |
| QED | 0.464 |
| SA Score | 3.35 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H10Cl3N7O |
| Exact Mass | 397.0012 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |