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NCID-ZINC01684790

 MMsINC code: MMs02318112
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(=O)CCC)C1CCCCC1OC(=O)CCC
InChI:   InChI=1/C14H24O4/c1-3-7-13(15)17-11-9-5-6-10-12(11)18-14(16)8-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=19.8907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -2.8115  SlogP: 2.9842  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0620263  Sterimol/B1: 2.31701  Sterimol/B2: 2.92755  Sterimol/B3: 3.17822
  Sterimol/B4: 9.38768  Sterimol/L: 14.7121 
 
 Surface and Volume Properties
  Accessible surface: 548.822  Positive charged surface: 407.776  Negative charged surface: 141.046  Volume: 267
  Hydrophobic surface: 444.606  Hydrophilic surface: 104.216
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.