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PUBCHEM-ZINC02042738

 MMsINC code: MMs02863763
Type: Neutral
Formula: C13H25NO2
SMILES:   OC(=O)C(NC)CCCCC1CCCCC1
InChI:   InChI=1/C13H25NO2/c1-14-12(13(15)16)10-6-5-9-11-7-3-2-4-8-11/h11-12,14H,2-10H2,1H3,(H,15,16)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=32.1832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.348 g/mol  logS: -3.90202  SlogP: 2.7997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405232  Sterimol/B1: 2.40655  Sterimol/B2: 2.74686  Sterimol/B3: 3.2034
  Sterimol/B4: 6.26941  Sterimol/L: 15.2174 
 
 Surface and Volume Properties
  Accessible surface: 493.215  Positive charged surface: 399.428  Negative charged surface: 93.787  Volume: 250.25
  Hydrophobic surface: 389.903  Hydrophilic surface: 103.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.