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NCID-ZINC05007960

 MMsINC code: MMs02427254
Type: Neutral
Formula: C7H14N2O4
SMILES:   O=C(NO)CCCCCC(=O)NO
InChI:   InChI=1/C7H14N2O4/c10-6(8-12)4-2-1-3-5-7(11)9-13/h12-13H,1-5H2,(H,8,10)(H,9,11)

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Potential Energy
Epot(MMFF94)=54.6129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.199 g/mol  logS: -0.43704  SlogP: -0.0523  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213133  Sterimol/B1: 2.11453  Sterimol/B2: 2.37504  Sterimol/B3: 2.37607
  Sterimol/B4: 3.82432  Sterimol/L: 16.4948 
 
 Surface and Volume Properties
  Accessible surface: 414.366  Positive charged surface: 281.125  Negative charged surface: 133.241  Volume: 173.625
  Hydrophobic surface: 158.676  Hydrophilic surface: 255.69
 
 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.