EGF-06531 Red
CC1=C(Cl)C2C(=O)N(Cc3c(Cl)cc4c(c3Cl)NCCC4)C(Cl)(C1)N2C
0.281
Platform Score
2D Structure
C18H19Cl4N3O | Exact mass: 433.0282
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
36
TPSA
435
MW
1
HBD
4.8
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 | 435.20 Da |
| TPSA | 35.6 A^2 |
| HBD | 1 |
| HBA | 3 |
| SlogP | 4.80 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 2 |
| Rings | 4 (1 aromatic) |
| QED | 0.536 |
| SA Score | 5.21 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H19Cl4N3O |
| Exact Mass | 433.0282 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |