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NCID-ZINC01767857

 MMsINC code: MMs02370330
Type: Neutral
Formula: C16H28O4
SMILES:   O1CCOC12CCCCCCCCCCC2OC(=O)C
InChI:   InChI=1/C16H28O4/c1-14(17)20-15-10-8-6-4-2-3-5-7-9-11-16(15)18-12-13-19-16/h15H,2-13H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=99.8843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.396 g/mol  logS: -4.54339  SlogP: 3.5758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233024  Sterimol/B1: 2.2847  Sterimol/B2: 2.41485  Sterimol/B3: 5.29436
  Sterimol/B4: 8.68675  Sterimol/L: 12.0372 
 
 Surface and Volume Properties
  Accessible surface: 504.38  Positive charged surface: 392.449  Negative charged surface: 111.931  Volume: 295.875
  Hydrophobic surface: 467.345  Hydrophilic surface: 37.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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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Ions/Tautomers related molecules: no related molecules available.