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NCID-ZINC05496762

 MMsINC code: MMs02468108
Type: Neutral
Formula: C10H20N2O4
SMILES:   O=C(NO)CCCCCCCCC(=O)NO
InChI:   InChI=1/C10H20N2O4/c13-9(11-15)7-5-3-1-2-4-6-8-10(14)12-16/h15-16H,1-8H2,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=54.3174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -1.9827  SlogP: 1.118  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0160134  Sterimol/B1: 2.37495  Sterimol/B2: 2.37597  Sterimol/B3: 2.89603
  Sterimol/B4: 3.76818  Sterimol/L: 20.2452 
 
 Surface and Volume Properties
  Accessible surface: 499.628  Positive charged surface: 357.864  Negative charged surface: 141.764  Volume: 227.625
  Hydrophobic surface: 247.519  Hydrophilic surface: 252.109
 
 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.