EGF-05487 Red
CC12C=CC(=O)C=C1CC=C1C2CCC2(C)C(n3ccnc3)=C(C=O)CC12
0.307
Platform Score
2D Structure
C23H24N2O2 | Exact mass: 360.1838
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
52
TPSA
360
MW
0
HBD
4.1
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 | 360.50 Da |
| TPSA | 52.0 A^2 |
| HBD | 0 |
| HBA | 4 |
| SlogP | 4.13 |
| Fsp3 | 0.435 |
| Rotatable Bonds | 2 |
| Rings | 5 (1 aromatic) |
| QED | 0.588 |
| SA Score | 4.81 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H24N2O2 |
| Exact Mass | 360.1838 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |