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PUBCHEM-ZINC05783803

 MMsINC code: MMs03384471
Type: Neutral
Formula: C16H29NO5
SMILES:   O1CCN(CC1)C(CC(OCCCC)=O)C(OCCCC)=O
InChI:   InChI=1/C16H29NO5/c1-3-5-9-21-15(18)13-14(16(19)22-10-6-4-2)17-7-11-20-12-8-17/h14H,3-13H2,1-2H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=64.9413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.41 g/mol  logS: -2.56657  SlogP: 1.7639  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0458133  Sterimol/B1: 2.52588  Sterimol/B2: 2.76225  Sterimol/B3: 3.32291
  Sterimol/B4: 11.0775  Sterimol/L: 16.6738 
 
 Surface and Volume Properties
  Accessible surface: 631.187  Positive charged surface: 507.79  Negative charged surface: 123.396  Volume: 320.625
  Hydrophobic surface: 522.961  Hydrophilic surface: 108.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.