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NCID-ZINC00395118

 MMsINC code: MMs02215392
Type: Neutral
Formula: C16H26O5
SMILES:   O=C1C(CCCC1CCC(OCC)=O)CCC(OCC)=O
InChI:   InChI=1/C16H26O5/c1-3-20-14(17)10-8-12-6-5-7-13(16(12)19)9-11-15(18)21-4-2/h12-13H,3-11H2,1-2H3/t12-,13+

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Potential Energy
Epot(MMFF94)=31.0831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.379 g/mol  logS: -2.14059  SlogP: 2.6584  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0480184  Sterimol/B1: 2.07056  Sterimol/B2: 2.73241  Sterimol/B3: 3.17316
  Sterimol/B4: 10.8408  Sterimol/L: 15.3458 
 
 Surface and Volume Properties
  Accessible surface: 606.258  Positive charged surface: 455.846  Negative charged surface: 150.412  Volume: 302
  Hydrophobic surface: 465.834  Hydrophilic surface: 140.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.