Search | Help | MolPaint | Roadmap | Credits | Feedback |
PUBCHEM-ZINC03872843 |
MMsINC code: MMs03081522 |
Type: Neutral Formula: C25H36O6
|
download 2D Mol File
| download 3D Mol File
Potential Energy Epot(MMFF94)=215.863 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 432.557 g/mol | logS: -4.26983 | SlogP: 3.1326 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.132187 | Sterimol/B1: 3.17098 | Sterimol/B2: 4.29571 | Sterimol/B3: 5.41857 | |||
Sterimol/B4: 6.01241 | Sterimol/L: 18.4071 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 629.297 | Positive charged surface: 441.286 | Negative charged surface: 188.011 | Volume: 412.875 | |||
Hydrophobic surface: 449.117 | Hydrophilic surface: 180.18 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
|