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PUBCHEM-ZINC05820310

 MMsINC code: MMs03399312
Type: Neutral
Formula: C11H19NO3
SMILES:   O=C1NC(CC1)C(OCCCCCC)=O
InChI:   InChI=1/C11H19NO3/c1-2-3-4-5-8-15-11(14)9-6-7-10(13)12-9/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=22.1082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -2.47845  SlogP: 1.3885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0307529  Sterimol/B1: 2.98425  Sterimol/B2: 3.05147  Sterimol/B3: 3.05381
  Sterimol/B4: 3.85277  Sterimol/L: 17.2454 
 
 Surface and Volume Properties
  Accessible surface: 478.282  Positive charged surface: 353.748  Negative charged surface: 124.534  Volume: 220.125
  Hydrophobic surface: 343.659  Hydrophilic surface: 134.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.