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PUBCHEM-ZINC06483290

 MMsINC code: MMs03759662
Type: Neutral
Formula: C14H24O4
SMILES:   O(C1CCCCC1C(O)=O)C1CCCCC1OC
InChI:   InChI=1/C14H24O4/c1-17-12-8-4-5-9-13(12)18-11-7-3-2-6-10(11)14(15)16/h10-13H,2-9H2,1H3,(H,15,16)/t10-,11+,12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=39.2209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.342 g/mol  logS: -1.85343  SlogP: 2.604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237695  Sterimol/B1: 2.15221  Sterimol/B2: 2.56858  Sterimol/B3: 5.8526
  Sterimol/B4: 6.80237  Sterimol/L: 12.1636 
 
 Surface and Volume Properties
  Accessible surface: 469.916  Positive charged surface: 384.228  Negative charged surface: 85.6878  Volume: 261.125
  Hydrophobic surface: 395.105  Hydrophilic surface: 74.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03759663
PUBCHEM-ZINC06483290