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PUBCHEM-ZINC06042489

 MMsINC code: MMs03509252
Type: Neutral
Formula: C11H21NO3
SMILES:   OC(=O)CCC(=O)NC(CCCCC)C
InChI:   InChI=1/C11H21NO3/c1-3-4-5-6-9(2)12-10(13)7-8-11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.3402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -1.92464  SlogP: 1.9362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508534  Sterimol/B1: 2.46294  Sterimol/B2: 2.8749  Sterimol/B3: 3.12866
  Sterimol/B4: 7.20536  Sterimol/L: 15.5868 
 
 Surface and Volume Properties
  Accessible surface: 489.986  Positive charged surface: 352.608  Negative charged surface: 137.378  Volume: 227.75
  Hydrophobic surface: 309.022  Hydrophilic surface: 180.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03509253
PUBCHEM-ZINC06042489