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PUBCHEM-ZINC05820825

 MMsINC code: MMs03399843
Type: Neutral
Formula: C13H24O4
SMILES:   O1CCOC1(C(CCCCC)C(OCC)=O)C
InChI:   InChI=1/C13H24O4/c1-4-6-7-8-11(12(14)15-5-2)13(3)16-9-10-17-13/h11H,4-10H2,1-3H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=30.3111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.331 g/mol  logS: -3.28778  SlogP: 2.509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895592  Sterimol/B1: 3.34163  Sterimol/B2: 3.76823  Sterimol/B3: 4.82895
  Sterimol/B4: 6.64375  Sterimol/L: 14.1141 
 
 Surface and Volume Properties
  Accessible surface: 510.235  Positive charged surface: 400.947  Negative charged surface: 109.288  Volume: 256.25
  Hydrophobic surface: 412.55  Hydrophilic surface: 97.685
 
 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.