EGF-05181 Red
CC(C)(C)N1CCC(CC(=O)NC(Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)CC1
0.262
Platform Score
2D Structure
C27H33Cl2N3O4 | Exact mass: 533.1848
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
99
TPSA
534
MW
3
HBD
5.3
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 | 534.50 Da |
| TPSA | 98.7 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 5.26 |
| Fsp3 | 0.444 |
| Rotatable Bonds | 8 |
| Rings | 3 (2 aromatic) |
| QED | 0.429 |
| SA Score | 2.89 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H33Cl2N3O4 |
| Exact Mass | 533.1848 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |