EGF-06167 Red
COc1cc2c(c(OC)c1OC)C1N(CC2)Cc2c(c(OC)c3cc(C)oc3c2OC)N1C
0.316
Platform Score
2D Structure
C25H30N2O6 | Exact mass: 454.2104
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
66
TPSA
454
MW
0
HBD
4.3
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 | 454.50 Da |
| TPSA | 65.8 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 4.29 |
| Fsp3 | 0.440 |
| Rotatable Bonds | 5 |
| Rings | 5 (3 aromatic) |
| QED | 0.566 |
| SA Score | 3.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H30N2O6 |
| Exact Mass | 454.2104 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |