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PUBCHEM-ZINC04551754

 MMsINC code: MMs03133106
Type: Neutral
Formula: C16H29NO3
SMILES:   OC(=O)CCC(=O)NC1CCCCCCCCCCC1
InChI:   InChI=1/C16H29NO3/c18-15(12-13-16(19)20)17-14-10-8-6-4-2-1-3-5-7-9-11-14/h14H,1-13H2,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=101.395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.412 g/mol  logS: -4.08525  SlogP: 3.6407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.372661  Sterimol/B1: 2.54324  Sterimol/B2: 5.04171  Sterimol/B3: 5.0492
  Sterimol/B4: 6.94788  Sterimol/L: 13.209 
 
 Surface and Volume Properties
  Accessible surface: 521.638  Positive charged surface: 372.38  Negative charged surface: 149.257  Volume: 297.25
  Hydrophobic surface: 397.343  Hydrophilic surface: 124.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03133107
PUBCHEM-ZINC04551754