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PUBCHEM-ZINC05965516

 MMsINC code: MMs03465667
Type: Neutral
Formula: C15H29NO3
SMILES:   OC(=O)CN(CCCCCCCCCCCC=O)C
InChI:   InChI=1/C15H29NO3/c1-16(14-15(18)19)12-10-8-6-4-2-3-5-7-9-11-13-17/h13H,2-12,14H2,1H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=33.0633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.401 g/mol  logS: -3.09537  SlogP: 3.1027  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0192854  Sterimol/B1: 2.13549  Sterimol/B2: 2.52088  Sterimol/B3: 3.52788
  Sterimol/B4: 4.40868  Sterimol/L: 23.1282 
 
 Surface and Volume Properties
  Accessible surface: 606.327  Positive charged surface: 486.94  Negative charged surface: 119.387  Volume: 295.5
  Hydrophobic surface: 446.865  Hydrophilic surface: 159.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.