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PUBCHEM-ZINC06761248 |
MMsINC code: MMs03854553 |
Type: Neutral Formula: C16H22O10
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Potential Energy Epot(MMFF94)=113.037 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 374.342 g/mol | logS: 0.33923 | SlogP: -1.8649 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.141289 | Sterimol/B1: 2.38959 | Sterimol/B2: 4.32505 | Sterimol/B3: 4.78906 | |||
Sterimol/B4: 8.29653 | Sterimol/L: 14.2387 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 586.397 | Positive charged surface: 398.796 | Negative charged surface: 187.601 | Volume: 320.125 | |||
Hydrophobic surface: 251.191 | Hydrophilic surface: 335.206 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 6 | Hydrogen bond acceptors: 10 | 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: 0 | Oprea's lead like rule: 1 |
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