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ACROSORGANICS-ZINC03882560

 MMsINC code: MMs00016317
Type: Neutral
Formula: C2H7NO3S2
SMILES:   S(S(O)(=O)=O)CCN
InChI:   InChI=1/C2H7NO3S2/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)

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Potential Energy
Epot(MMFF94)=-11.1744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.214 g/mol  logS: -0.40625  SlogP: -1.0846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140393  Sterimol/B1: 2.86481  Sterimol/B2: 2.89624  Sterimol/B3: 3.05858
  Sterimol/B4: 3.71669  Sterimol/L: 9.52129 
 
 Surface and Volume Properties
  Accessible surface: 299.607  Positive charged surface: 159.36  Negative charged surface: 140.247  Volume: 114.25
  Hydrophobic surface: 70.8084  Hydrophilic surface: 228.7986
 
 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.