EGF-04925 Red
C=C(C)C=CC(=O)OC(C(C)=O)C(=O)OC1CCC2(C)C1CCC13CC(CCC12)C(C(C)C(=O)OC)C3
0.129
Platform Score
2D Structure
C30H42O7 | Exact mass: 514.2931
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
96
TPSA
515
MW
0
HBD
5.0
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 | 514.70 Da |
| TPSA | 96.0 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 4.97 |
| Fsp3 | 0.733 |
| Rotatable Bonds | 8 |
| Rings | 4 (0 aromatic) |
| QED | 0.148 |
| SA Score | 6.31 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C30H42O7 |
| Exact Mass | 514.2931 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |