Search | Help | MolPaint | Roadmap | Credits | Feedback |
PUBCHEM-ZINC05275831 |
MMsINC code: MMs03230097 |
Type: Neutral Formula: C20H30O2
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=101.206 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 302.458 g/mol | logS: -5.7942 | SlogP: 4.1268 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.188247 | Sterimol/B1: 1.98408 | Sterimol/B2: 3.57982 | Sterimol/B3: 5.02108 | |||
Sterimol/B4: 6.1042 | Sterimol/L: 14.3687 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 504.682 | Positive charged surface: 359.157 | Negative charged surface: 145.525 | Volume: 315.375 | |||
Hydrophobic surface: 375.325 | Hydrophilic surface: 129.357 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|