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NCID-ZINC00395119

 MMsINC code: MMs02215393
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-/m0/s1

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Potential Energy
Epot(MMFF94)=30.8666 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: 0.0718437  Sterimol/B1: 3.4294  Sterimol/B2: 3.45551  Sterimol/B3: 3.58799
  Sterimol/B4: 9.42214  Sterimol/L: 15.2957 
 
 Surface and Volume Properties
  Accessible surface: 594.822  Positive charged surface: 435.218  Negative charged surface: 159.604  Volume: 301.75
  Hydrophobic surface: 444.326  Hydrophilic surface: 150.496
 
 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.