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PUBCHEM-ZINC06655698

 MMsINC code: MMs03835422
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-/m1/s1

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Potential Energy
Epot(MMFF94)=25.3516 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: 0.0422783  Sterimol/B1: 2.94523  Sterimol/B2: 2.95327  Sterimol/B3: 3.29342
  Sterimol/B4: 4.34962  Sterimol/L: 15.4972 
 
 Surface and Volume Properties
  Accessible surface: 438.19  Positive charged surface: 323.71  Negative charged surface: 114.48  Volume: 201.75
  Hydrophobic surface: 310.669  Hydrophilic surface: 127.521
 
 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.