EGF-06772 Red
Oc1ccc(N=c2[nH]c(=NCC=C(Cl)Cl)[nH]c3c2ncn3CCc2ccccc2)cc1
0.276
Platform Score
2D Structure
C22H20Cl2N6O | Exact mass: 454.1076
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
94
TPSA
455
MW
3
HBD
4.1
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 | 455.30 Da |
| TPSA | 94.3 A^2 |
| HBD | 3 |
| HBA | 5 |
| SlogP | 4.09 |
| Fsp3 | 0.136 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.409 |
| SA Score | 3.45 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H20Cl2N6O |
| Exact Mass | 454.1076 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |