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PUBCHEM-ZINC05431268

 MMsINC code: MMs03267962
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C(NC)C1N(CCC1)C(=O)C
InChI:   InChI=1/C8H14N2O2/c1-6(11)10-5-3-4-7(10)8(12)9-2/h7H,3-5H2,1-2H3,(H,9,12)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=28.9328 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -0.38943  SlogP: -0.2567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112691  Sterimol/B1: 2.52805  Sterimol/B2: 3.08665  Sterimol/B3: 3.12102
  Sterimol/B4: 6.42719  Sterimol/L: 11.1652 
 
 Surface and Volume Properties
  Accessible surface: 373.419  Positive charged surface: 287.969  Negative charged surface: 85.4499  Volume: 170.125
  Hydrophobic surface: 300.885  Hydrophilic surface: 72.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.