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PUBCHEM-ZINC05821171

 MMsINC code: MMs03400201
Type: Neutral
Formula: C8H16N2O4
SMILES:   OC(=O)CCCN([N+](=O)[O-])CCCC
InChI:   InChI=1/C8H16N2O4/c1-2-3-6-9(10(13)14)7-4-5-8(11)12/h2-7H2,1H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=-0.286898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.226 g/mol  logS: -1.24785  SlogP: 1.145  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0759107  Sterimol/B1: 2.12782  Sterimol/B2: 2.71974  Sterimol/B3: 3.59089
  Sterimol/B4: 5.99145  Sterimol/L: 14.3599 
 
 Surface and Volume Properties
  Accessible surface: 430.283  Positive charged surface: 273.554  Negative charged surface: 156.729  Volume: 192.875
  Hydrophobic surface: 236.419  Hydrophilic surface: 193.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03400202
PUBCHEM-ZINC05821171