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NCID-ZINC01714264

 MMsINC code: MMs02340528
Type: Neutral
Formula: C4H10N2O3S
SMILES:   S(=O)(=O)(N)N1CCOCC1
InChI:   InChI=1/C4H10N2O3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2,(H2,5,7,8)

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Potential Energy
Epot(MMFF94)=-17.1737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.201 g/mol  logS: 0.14802  SlogP: -1.4779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.340749  Sterimol/B1: 2.33803  Sterimol/B2: 2.46056  Sterimol/B3: 3.64914
  Sterimol/B4: 4.83744  Sterimol/L: 8.61547 
 
 Surface and Volume Properties
  Accessible surface: 312.547  Positive charged surface: 226.782  Negative charged surface: 85.7644  Volume: 133.25
  Hydrophobic surface: 174.283  Hydrophilic surface: 138.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.