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NCID-ZINC01658729

 MMsINC code: MMs02296534
Type: Neutral
Formula: C15H24O6
SMILES:   O1CCOC1(\C=C\CCC(OC)=O)CCCCC(OC)=O
InChI:   InChI=1/C15H24O6/c1-18-13(16)7-3-5-9-15(20-11-12-21-15)10-6-4-8-14(17)19-2/h5,9H,3-4,6-8,10-12H2,1-2H3/b9-5+

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Potential Energy
Epot(MMFF94)=31.7527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.351 g/mol  logS: -1.65385  SlogP: 1.9723  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0335793  Sterimol/B1: 2.53491  Sterimol/B2: 3.07175  Sterimol/B3: 3.50814
  Sterimol/B4: 8.12179  Sterimol/L: 20.124 
 
 Surface and Volume Properties
  Accessible surface: 608.641  Positive charged surface: 499.698  Negative charged surface: 108.944  Volume: 298.375
  Hydrophobic surface: 498.209  Hydrophilic surface: 110.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.