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PUBCHEM-ZINC05820656

 MMsINC code: MMs03399625
Type: Neutral
Formula: C8H16N2O3
SMILES:   O(C(=O)CN(N=O)CCCCC)C
InChI:   InChI=1/C8H16N2O3/c1-3-4-5-6-10(9-12)7-8(11)13-2/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.2787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.227 g/mol  logS: -1.75842  SlogP: 1.333  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0598158  Sterimol/B1: 2.64792  Sterimol/B2: 3.03577  Sterimol/B3: 3.22007
  Sterimol/B4: 5.70329  Sterimol/L: 14.57 
 
 Surface and Volume Properties
  Accessible surface: 429.619  Positive charged surface: 307.027  Negative charged surface: 122.592  Volume: 188.5
  Hydrophobic surface: 369.599  Hydrophilic surface: 60.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.