Search | Help | MolPaint | Roadmap | Credits | Feedback |
NCID-ZINC05080360 |
MMsINC code: MMs02437035 |
Type: Neutral Formula: C30H44O3
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=226.886 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 452.679 g/mol | logS: -7.74036 | SlogP: 6.2762 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0770326 | Sterimol/B1: 3.28269 | Sterimol/B2: 5.14797 | Sterimol/B3: 5.32213 | |||
Sterimol/B4: 5.8086 | Sterimol/L: 20.8236 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 715.403 | Positive charged surface: 491.414 | Negative charged surface: 223.989 | Volume: 466.25 | |||
Hydrophobic surface: 551.953 | Hydrophilic surface: 163.45 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 10 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
|