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PUBCHEM-ZINC06126475

 MMsINC code: MMs03550324
Type: Neutral
Formula: C12H21NO2
SMILES:   O(CCCNC(=O)C1C2CC(C1)CC2)C
InChI:   InChI=1/C12H21NO2/c1-15-6-2-5-13-12(14)11-8-9-3-4-10(11)7-9/h9-11H,2-8H2,1H3,(H,13,14)/t9-,10+,11-/m0/s1

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Potential Energy
Epot(MMFF94)=44.021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.305 g/mol  logS: -2.37522  SlogP: 1.5753  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0692943  Sterimol/B1: 3.36933  Sterimol/B2: 3.39244  Sterimol/B3: 3.69704
  Sterimol/B4: 3.72454  Sterimol/L: 15.5216 
 
 Surface and Volume Properties
  Accessible surface: 460.581  Positive charged surface: 381.737  Negative charged surface: 78.8445  Volume: 223.375
  Hydrophobic surface: 419.007  Hydrophilic surface: 41.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.