EGF-06693 Red
Clc1nc(=NCc2cccnc2)[nH]c(=NCc2cccc(C3CCNCC3)n2)[nH]1
0.299
Platform Score
2D Structure
C20H23ClN8 | Exact mass: 410.1734
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
107
TPSA
411
MW
3
HBD
1.9
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 | 410.90 Da |
| TPSA | 107.0 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 1.85 |
| Fsp3 | 0.350 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.596 |
| SA Score | 3.59 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H23ClN8 |
| Exact Mass | 410.1734 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |