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PUBCHEM-ZINC02029360

 MMsINC code: MMs02858515
Type: Neutral
Formula: C14H26O4
SMILES:   OC(=O)C(CCCCCCCCC(C(O)=O)C)C
InChI:   InChI=1/C14H26O4/c1-11(13(15)16)9-7-5-3-4-6-8-10-12(2)14(17)18/h11-12H,3-10H2,1-2H3,(H,15,16)(H,17,18)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=6.1124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.358 g/mol  logS: -3.24446  SlogP: 3.5486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306496  Sterimol/B1: 2.32688  Sterimol/B2: 2.55071  Sterimol/B3: 3.68269
  Sterimol/B4: 4.63798  Sterimol/L: 20.2232 
 
 Surface and Volume Properties
  Accessible surface: 560.625  Positive charged surface: 407.745  Negative charged surface: 152.881  Volume: 274.625
  Hydrophobic surface: 340.979  Hydrophilic surface: 219.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02858516
PUBCHEM-ZINC02029360