EGF-05770 Red
C=C(CO)C1CC(=O)C2(C)C3C(=CCC4C3(C)CCC(OC(C)=O)C4(C)C(=O)O)CCC12C
0.236
Platform Score
2D Structure
C27H38O6 | Exact mass: 458.2668
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
101
TPSA
459
MW
2
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 | 458.60 Da |
| TPSA | 100.9 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.32 |
| Fsp3 | 0.741 |
| Rotatable Bonds | 4 |
| Rings | 4 (0 aromatic) |
| QED | 0.481 |
| SA Score | 5.19 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H38O6 |
| Exact Mass | 458.2668 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |