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NCID-ZINC01562117

 MMsINC code: MMs02224151
Type: Ionized
Formula: C10H18N2O4S2-2
SMILES:   S(SC(C(N)C(=O)[O-])(C)C)C(C(N)C(=O)[O-])(C)C
InChI:   InChI=1/C10H20N2O4S2/c1-9(2,5(11)7(13)14)17-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)/p-2/t5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=89.8627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.396 g/mol  logS: -2.89036  SlogP: -1.9206  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.12411  Sterimol/B1: 2.18755  Sterimol/B2: 2.82869  Sterimol/B3: 4.33839
  Sterimol/B4: 5.18355  Sterimol/L: 14.5086 
 
 Surface and Volume Properties
  Accessible surface: 466.805  Positive charged surface: 236.139  Negative charged surface: 230.666  Volume: 264.125
  Hydrophobic surface: 155.504  Hydrophilic surface: 311.301
 
 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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MMs02224150
NCID-ZINC01562117