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CHEMDIV-ZINC07006211

 MMsINC code: MMs01071328
Type: Neutral
Formula: C7H10N2O3S2
SMILES:   s1cc(S(=O)(=O)NCC)cc1C(=O)N
InChI:   InChI=1/C7H10N2O3S2/c1-2-9-14(11,12)5-3-6(7(8)10)13-4-5/h3-4,9H,2H2,1H3,(H2,8,10)

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Potential Energy
Epot(MMFF94)=-4.84242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.3 g/mol  logS: -1.60886  SlogP: 0.1452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128983  Sterimol/B1: 2.4324  Sterimol/B2: 2.76451  Sterimol/B3: 4.6572
  Sterimol/B4: 5.61575  Sterimol/L: 12.9682 
 
 Surface and Volume Properties
  Accessible surface: 404.596  Positive charged surface: 202.725  Negative charged surface: 201.87  Volume: 188
  Hydrophobic surface: 190.497  Hydrophilic surface: 214.099
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.