EGF-06920 Red
Clc1ccc(C2(Cn3ncnn3)OCC(COCc3ccccc3)O2)c(Cl)c1
0.340
Platform Score
2D Structure
C19H18Cl2N4O3 | Exact mass: 420.0756
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
71
TPSA
421
MW
0
HBD
3.5
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 | 421.30 Da |
| TPSA | 71.3 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 3.47 |
| Fsp3 | 0.316 |
| Rotatable Bonds | 7 |
| Rings | 4 (3 aromatic) |
| QED | 0.582 |
| SA Score | 3.55 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H18Cl2N4O3 |
| Exact Mass | 420.0756 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |