EGF-05298 Red
CC(=O)OC1CC2C3C(O)C(O)C(O)C(C)(C)C3(C)CC(OC(C)=O)C2(C)C2(C)CCC(=O)C(C)=C12
0.240
Platform Score
2D Structure
C28H42O8 | Exact mass: 506.288
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
130
TPSA
507
MW
3
HBD
2.7
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 | 506.60 Da |
| TPSA | 130.4 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 2.71 |
| Fsp3 | 0.821 |
| Rotatable Bonds | 2 |
| Rings | 4 (0 aromatic) |
| QED | 0.488 |
| SA Score | 5.29 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H42O8 |
| Exact Mass | 506.288 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |