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NCID-ZINC01567220

 MMsINC code: MMs02228296
Type: Ionized
Formula: C6H10N2O4S2-2
SMILES:   S(SC(CN)C(=O)[O-])C(CN)C(=O)[O-]
InChI:   InChI=1/C6H12N2O4S2/c7-1-3(5(9)10)13-14-4(2-8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/p-2/t3-,4+

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Potential Energy
Epot(MMFF94)=36.0102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.288 g/mol  logS: -1.58152  SlogP: -3.4778  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.160029  Sterimol/B1: 2.89825  Sterimol/B2: 3.07362  Sterimol/B3: 4.20682
  Sterimol/B4: 5.03328  Sterimol/L: 11.7326 
 
 Surface and Volume Properties
  Accessible surface: 395.485  Positive charged surface: 186.218  Negative charged surface: 209.267  Volume: 189.5
  Hydrophobic surface: 93.2252  Hydrophilic surface: 302.2598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 4  Basic groups: 0
  Chiral centers: 2
 
 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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MMs02228295
NCID-ZINC01567220