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NCID-ZINC01684788

 MMsINC code: MMs02318110
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+

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Potential Energy
Epot(MMFF94)=20.5293 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: 0.07569  Sterimol/B1: 2.17527  Sterimol/B2: 2.75767  Sterimol/B3: 3.90932
  Sterimol/B4: 8.60698  Sterimol/L: 15.5878 
 
 Surface and Volume Properties
  Accessible surface: 543.849  Positive charged surface: 407.427  Negative charged surface: 136.422  Volume: 265.75
  Hydrophobic surface: 444.902  Hydrophilic surface: 98.947
 
 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.