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PUBCHEM-ZINC05783188

 MMsINC code: MMs03384206
Type: Neutral
Formula: C16H32O4
SMILES:   O(C(\C=C(\C(O)CCCCC)/C)C(O)CCC(O)C)C
InChI:   InChI=1/C16H32O4/c1-5-6-7-8-14(18)12(2)11-16(20-4)15(19)10-9-13(3)17/h11,13-19H,5-10H2,1-4H3/b12-11-/t13-,14+,15-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=57.9085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.428 g/mol  logS: -2.45372  SlogP: 2.4108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251758  Sterimol/B1: 3.95845  Sterimol/B2: 4.21469  Sterimol/B3: 5.35736
  Sterimol/B4: 7.78864  Sterimol/L: 13.5665 
 
 Surface and Volume Properties
  Accessible surface: 595.889  Positive charged surface: 451.932  Negative charged surface: 143.958  Volume: 316
  Hydrophobic surface: 427.605  Hydrophilic surface: 168.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.