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NCID-ZINC05518893

 MMsINC code: MMs02469812
Type: Neutral
Formula: C20H38O5
SMILES:   O1CCOC1(CCCCCCCCC(O)CC(OCC)=O)CCCC
InChI:   InChI=1/C20H38O5/c1-3-5-13-20(24-15-16-25-20)14-11-9-7-6-8-10-12-18(21)17-19(22)23-4-2/h18,21H,3-17H2,1-2H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=34.9336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.519 g/mol  logS: -4.92276  SlogP: 4.3546  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0207057  Sterimol/B1: 2.5398  Sterimol/B2: 3.42891  Sterimol/B3: 3.84738
  Sterimol/B4: 8.00769  Sterimol/L: 25.0832 
 
 Surface and Volume Properties
  Accessible surface: 751.811  Positive charged surface: 610.652  Negative charged surface: 141.16  Volume: 386
  Hydrophobic surface: 620.608  Hydrophilic surface: 131.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.