EGF-05990 Red
C=C1C(O)C2(CC(C)C)OC34C1CCC(C)C3CC(C(C)(C)C)OC24
0.303
Platform Score
2D Structure
C22H36O3 | Exact mass: 348.2664
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
39
TPSA
348
MW
1
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 | 348.50 Da |
| TPSA | 38.7 A^2 |
| HBD | 1 |
| HBA | 3 |
| SlogP | 4.34 |
| Fsp3 | 0.909 |
| Rotatable Bonds | 2 |
| Rings | 5 (0 aromatic) |
| QED | 0.755 |
| SA Score | 6.48 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H36O3 |
| Exact Mass | 348.2664 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |