![]() |
![]() |
|
![]() |
Search | Help | MolPaint | Roadmap | Credits | Feedback |
NCID-ZINC01691364 |
MMsINC code: MMs02323467 |
Type: Neutral Formula: C28H44O
|
![]() |
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=194.836 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 396.659 g/mol | logS: -9.60531 | SlogP: 7.3308 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.123487 | Sterimol/B1: 2.12146 | Sterimol/B2: 4.31558 | Sterimol/B3: 4.51791 | |||
Sterimol/B4: 8.516 | Sterimol/L: 17.716 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 658.44 | Positive charged surface: 475.959 | Negative charged surface: 182.481 | Volume: 436.875 | |||
Hydrophobic surface: 504.146 | Hydrophilic surface: 154.294 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 1 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 |
|