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PUBCHEM-ZINC05454010

 MMsINC code: MMs03273730
Type: Neutral
Formula: C4H10N4O2S
SMILES:   S(=O)(=O)(NCC(C)C)N=[N+]=[N-]
InChI:   InChI=1/C4H10N4O2S/c1-4(2)3-6-11(9,10)8-7-5/h4,6H,3H2,1-2H3

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Potential Energy
Epot(MMFF94)=-36.0973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.216 g/mol  logS: -0.40779  SlogP: 0.7871  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0912197  Sterimol/B1: 2.40955  Sterimol/B2: 2.97554  Sterimol/B3: 3.32552
  Sterimol/B4: 4.72437  Sterimol/L: 12.2075 
 
 Surface and Volume Properties
  Accessible surface: 358.423  Positive charged surface: 169.15  Negative charged surface: 189.273  Volume: 146.75
  Hydrophobic surface: 138.434  Hydrophilic surface: 219.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.