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PUBCHEM-ZINC06655700

 MMsINC code: MMs03835424
Type: Neutral
Formula: C10H17NO3
SMILES:   O1CCC(NC(=O)CCCCC)C1=O
InChI:   InChI=1/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=22.6886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.25 g/mol  logS: -2.27668  SlogP: 0.9984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434298  Sterimol/B1: 2.72743  Sterimol/B2: 2.97144  Sterimol/B3: 3.27014
  Sterimol/B4: 4.03419  Sterimol/L: 15.7094 
 
 Surface and Volume Properties
  Accessible surface: 437.412  Positive charged surface: 324.473  Negative charged surface: 112.938  Volume: 201.125
  Hydrophobic surface: 312.626  Hydrophilic surface: 124.786
 
 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.