EGF-05070 Red
CC(C)(C)C(=O)NCCc1c(Cl)[nH]c2c1CCC(c1ccc(Cl)c(Cl)c1)C2
0.312
Platform Score
2D Structure
C21H25Cl3N2O | Exact mass: 426.1032
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
45
TPSA
428
MW
2
HBD
6.0
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 | 427.80 Da |
| TPSA | 44.9 A^2 |
| HBD | 2 |
| HBA | 1 |
| SlogP | 5.95 |
| Fsp3 | 0.476 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.622 |
| SA Score | 3.27 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H25Cl3N2O |
| Exact Mass | 426.1032 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |