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NCID-ZINC01561036

 MMsINC code: MMs02223284
Type: Neutral
Formula: C13H23NO2
SMILES:   O(CC)C(=O)NC1CC2C(CC1)CCCC2
InChI:   InChI=1/C13H23NO2/c1-2-16-13(15)14-12-8-7-10-5-3-4-6-11(10)9-12/h10-12H,2-9H2,1H3,(H,14,15)/t10-,11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=3.3502 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.332 g/mol  logS: -3.59712  SlogP: 3.0914  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140672  Sterimol/B1: 2.35753  Sterimol/B2: 3.71955  Sterimol/B3: 4.15662
  Sterimol/B4: 5.94368  Sterimol/L: 14.2638 
 
 Surface and Volume Properties
  Accessible surface: 462.603  Positive charged surface: 365.339  Negative charged surface: 97.2634  Volume: 239.5
  Hydrophobic surface: 392.524  Hydrophilic surface: 70.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.