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PUBCHEM-ZINC06361312 |
MMsINC code: MMs03686853 |
Type: Ionized Formula: C18H27O9-
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Potential Energy Epot(MMFF94)=67.4653 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 387.405 g/mol | logS: -0.21324 | SlogP: -2.1254 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.068411 | Sterimol/B1: 2.80507 | Sterimol/B2: 4.67845 | Sterimol/B3: 5.05625 | |||
Sterimol/B4: 5.99719 | Sterimol/L: 16.4968 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 638.537 | Positive charged surface: 419.989 | Negative charged surface: 218.548 | Volume: 349.5 | |||
Hydrophobic surface: 348.378 | Hydrophilic surface: 290.159 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 7 | Acid groups: 2 | 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: 0 |
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