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NCID-ZINC01621226

 MMsINC code: MMs02269174
Type: Neutral
Formula: C9H18N2O3
SMILES:   OC(=O)C(NCCCCC)CC(=O)N
InChI:   InChI=1/C9H18N2O3/c1-2-3-4-5-11-7(9(13)14)6-8(10)12/h7,11H,2-6H2,1H3,(H2,10,12)(H,13,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=13.8517 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: -1.07322  SlogP: 0.0948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490891  Sterimol/B1: 2.50117  Sterimol/B2: 3.25587  Sterimol/B3: 4.40839
  Sterimol/B4: 5.29519  Sterimol/L: 13.9234 
 
 Surface and Volume Properties
  Accessible surface: 443.634  Positive charged surface: 325.852  Negative charged surface: 117.782  Volume: 203
  Hydrophobic surface: 225.532  Hydrophilic surface: 218.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.