EGF-06263 Red
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1O
0.245
Platform Score
2D Structure
C25H26O6 | Exact mass: 422.1729
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
111
TPSA
422
MW
4
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 | 422.50 Da |
| TPSA | 111.1 A^2 |
| HBD | 4 |
| HBA | 6 |
| SlogP | 5.30 |
| Fsp3 | 0.240 |
| Rotatable Bonds | 5 |
| Rings | 3 (3 aromatic) |
| QED | 0.415 |
| SA Score | 3.06 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H26O6 |
| Exact Mass | 422.1729 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |