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NCID-ZINC05462544

 MMsINC code: MMs02464259
Type: Neutral
Formula: C8H14N2O2
SMILES:   O=C1N(CCCC)C(=O)NC1C
InChI:   InChI=1/C8H14N2O2/c1-3-4-5-10-7(11)6(2)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,12)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-11.7871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.212 g/mol  logS: -1.4059  SlogP: 0.7268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11454  Sterimol/B1: 2.53894  Sterimol/B2: 2.79474  Sterimol/B3: 4.22524
  Sterimol/B4: 4.81496  Sterimol/L: 12.1805 
 
 Surface and Volume Properties
  Accessible surface: 377.9  Positive charged surface: 264.446  Negative charged surface: 113.455  Volume: 169.875
  Hydrophobic surface: 225.456  Hydrophilic surface: 152.444
 
 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.