EGF-06916 Red
O=C1NC(c2ccccc2)(c2ccccc2)CCN1C1CCN(Cc2ccc(Cl)cc2F)C1
0.323
Platform Score
2D Structure
C27H27ClFN3O | Exact mass: 463.1827
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
36
TPSA
464
MW
1
HBD
5.4
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 | 464.00 Da |
| TPSA | 35.6 A^2 |
| HBD | 1 |
| HBA | 2 |
| SlogP | 5.41 |
| Fsp3 | 0.296 |
| Rotatable Bonds | 5 |
| Rings | 5 (3 aromatic) |
| QED | 0.549 |
| SA Score | 3.03 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H27ClFN3O |
| Exact Mass | 463.1827 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |