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IBS-ZINC02124012 |
MMsINC code: MMs01790886 |
Type: Neutral Formula: C19H24O4
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Potential Energy Epot(MMFF94)=142.56 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 316.397 g/mol | logS: -3.33898 | SlogP: 2.6103 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.165973 | Sterimol/B1: 2.08789 | Sterimol/B2: 3.14908 | Sterimol/B3: 5.52937 | |||
Sterimol/B4: 5.82127 | Sterimol/L: 14.2125 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 497.865 | Positive charged surface: 325.33 | Negative charged surface: 172.535 | Volume: 300.375 | |||
Hydrophobic surface: 295.906 | Hydrophilic surface: 201.959 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
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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