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APOLLO-ZINC00158418

 MMsINC code: MMs00044888
Type: Neutral
Formula: C14H24O4
SMILES:   O(C(=O)C1CC(CCC1)CCC(OCC)=O)CC
InChI:   InChI=1/C14H24O4/c1-3-17-13(15)9-8-11-6-5-7-12(10-11)14(16)18-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=21.6016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -2.87407  SlogP: 2.6992  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0276343  Sterimol/B1: 2.66337  Sterimol/B2: 3.2508  Sterimol/B3: 3.48002
  Sterimol/B4: 4.79017  Sterimol/L: 19.4358 
 
 Surface and Volume Properties
  Accessible surface: 549.786  Positive charged surface: 419.96  Negative charged surface: 129.826  Volume: 267.25
  Hydrophobic surface: 427.27  Hydrophilic surface: 122.516
 
 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.