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NCID-ZINC05410171 |
MMsINC code: MMs02459909 |
Type: Neutral Formula: C16H24O5
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Potential Energy Epot(MMFF94)=90.1024 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 296.363 g/mol | logS: -2.46506 | SlogP: 1.826 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.222532 | Sterimol/B1: 2.53172 | Sterimol/B2: 3.21833 | Sterimol/B3: 4.62044 | |||
Sterimol/B4: 6.55044 | Sterimol/L: 12.1366 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 466.374 | Positive charged surface: 309.686 | Negative charged surface: 156.688 | Volume: 277.375 | |||
Hydrophobic surface: 259.58 | Hydrophilic surface: 206.794 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | 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 |
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