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PUBCHEM-ZINC05575974

 MMsINC code: MMs03311788
Type: Neutral
Formula: C4H10N3O2PS
SMILES:   S=P(OCC)(OCC)N=[N+]=[N-]
InChI:   InChI=1/C4H10N3O2PS/c1-3-8-10(11,7-6-5)9-4-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-18.4907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.183 g/mol  logS: -1.79712  SlogP: 2.5942  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114719  Sterimol/B1: 2.66076  Sterimol/B2: 2.72674  Sterimol/B3: 5.26374
  Sterimol/B4: 5.50373  Sterimol/L: 12.2238 
 
 Surface and Volume Properties
  Accessible surface: 386.571  Positive charged surface: 194.604  Negative charged surface: 191.967  Volume: 164
  Hydrophobic surface: 185.624  Hydrophilic surface: 200.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.