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NCID-ZINC05496778

 MMsINC code: MMs02468117
Type: Neutral
Formula: C12H24N2O4
SMILES:   O=C(NO)CCCCCCCCCCC(=O)NO
InChI:   InChI=1/C12H24N2O4/c15-11(13-17)9-7-5-3-1-2-4-6-8-10-12(16)14-18/h17-18H,1-10H2,(H,13,15)(H,14,16)

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Potential Energy
Epot(MMFF94)=54.3361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -3.01314  SlogP: 1.8982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131169  Sterimol/B1: 2.37498  Sterimol/B2: 2.37585  Sterimol/B3: 2.88968
  Sterimol/B4: 3.78259  Sterimol/L: 22.7433 
 
 Surface and Volume Properties
  Accessible surface: 570.655  Positive charged surface: 416.624  Negative charged surface: 154.031  Volume: 266.125
  Hydrophobic surface: 311.544  Hydrophilic surface: 259.111
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.