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NCID-ZINC05048721

 MMsINC code: MMs02432813
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(N(N=O)CC(CCCC)CC)C
InChI:   InChI=1/C10H20N2O2/c1-4-6-7-10(5-2)8-12(11-14)9(3)13/h10H,4-8H2,1-3H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=44.5803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -2.99545  SlogP: 2.7327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137287  Sterimol/B1: 3.28973  Sterimol/B2: 3.55652  Sterimol/B3: 4.13474
  Sterimol/B4: 6.11346  Sterimol/L: 12.9602 
 
 Surface and Volume Properties
  Accessible surface: 433.342  Positive charged surface: 276.686  Negative charged surface: 156.656  Volume: 213.875
  Hydrophobic surface: 349.527  Hydrophilic surface: 83.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.