EGF-06725 Red
COc1ccc(C[N+]23CCC(CC2)C(NC(=O)Oc2ccc(Cl)cc2Cl)C3)cc1OC
0.312
Platform Score
2D Structure
C23H27Cl2N2O4+ | Exact mass: 465.1342
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
57
TPSA
466
MW
1
HBD
4.9
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 | 466.40 Da |
| TPSA | 56.8 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 4.91 |
| Fsp3 | 0.435 |
| Rotatable Bonds | 6 |
| Rings | 5 (2 aromatic) |
| QED | 0.615 |
| SA Score | 3.91 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H27Cl2N2O4+ |
| Exact Mass | 465.1342 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |