EGF-04930 Red
Cc1c(C)c2ccc(OCc3ccc(COc4ccc5c(c4)N(C)C(=O)C5=O)cc3)cc2oc1=O
0.269
Platform Score
2D Structure
C28H23NO6 | Exact mass: 469.1525
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
86
TPSA
470
MW
0
HBD
4.7
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 | 469.50 Da |
| TPSA | 86.1 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 4.73 |
| Fsp3 | 0.179 |
| Rotatable Bonds | 6 |
| Rings | 5 (4 aromatic) |
| QED | 0.300 |
| SA Score | 2.47 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H23NO6 |
| Exact Mass | 469.1525 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |