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NCID-ZINC05700291

 MMsINC code: MMs02486672
Type: Neutral
Formula: C14H28O4
SMILES:   O1C(CCCCC)C(OC(CCCCC)C1O)O
InChI:   InChI=1/C14H28O4/c1-3-5-7-9-11-13(15)18-12(14(16)17-11)10-8-6-4-2/h11-16H,3-10H2,1-2H3/t11-,12-,13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=35.2915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.374 g/mol  logS: -3.53032  SlogP: 2.5678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855946  Sterimol/B1: 2.90835  Sterimol/B2: 3.29631  Sterimol/B3: 5.35163
  Sterimol/B4: 6.46603  Sterimol/L: 17.5929 
 
 Surface and Volume Properties
  Accessible surface: 561.535  Positive charged surface: 440.441  Negative charged surface: 121.093  Volume: 277.625
  Hydrophobic surface: 405.051  Hydrophilic surface: 156.484
 
 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: no related molecules available.