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NCID-ZINC04416790 |
MMsINC code: MMs02386520 |
Type: Neutral Formula: C19H26O11
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Potential Energy Epot(MMFF94)=82.1342 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 430.406 g/mol | logS: 0.19321 | SlogP: 1.4821 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.36732 | Sterimol/B1: 3.22458 | Sterimol/B2: 4.86102 | Sterimol/B3: 6.51885 | |||
Sterimol/B4: 6.97945 | Sterimol/L: 12.5292 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 633.317 | Positive charged surface: 370.953 | Negative charged surface: 262.364 | Volume: 363 | |||
Hydrophobic surface: 154.569 | Hydrophilic surface: 478.748 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 10 | Hydrogen bond acceptors: 11 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 0 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
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