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PUBCHEM-ZINC05459330

 MMsINC code: MMs03276039
Type: Neutral
Formula: C13H25NO
SMILES:   O=C(N1CC(CC(C1)C)C)CCCCC
InChI:   InChI=1/C13H25NO/c1-4-5-6-7-13(15)14-9-11(2)8-12(3)10-14/h11-12H,4-10H2,1-3H3/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=20.1433 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.349 g/mol  logS: -2.5696  SlogP: 3.0712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0646307  Sterimol/B1: 3.00066  Sterimol/B2: 3.77713  Sterimol/B3: 3.82656
  Sterimol/B4: 4.10237  Sterimol/L: 15.51 
 
 Surface and Volume Properties
  Accessible surface: 474.028  Positive charged surface: 374.171  Negative charged surface: 99.8575  Volume: 242.875
  Hydrophobic surface: 385.834  Hydrophilic surface: 88.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.