EGF-00392 Yellow
O=C(NN=c1[nH]cnc2c1cnn2Cc1ccccc1)c1c(Cl)cccc1Cl
0.550
Platform Score
2D Structure
C19H14Cl2N6O | Exact mass: 412.0606
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
413
MW
2
HBD
3.4
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 | 413.30 Da |
| TPSA | 88.0 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 3.36 |
| Fsp3 | 0.053 |
| Rotatable Bonds | 4 |
| Rings | 4 (4 aromatic) |
| QED | 0.503 |
| SA Score | 2.73 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H14Cl2N6O |
| Exact Mass | 412.0606 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |