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NCID-ZINC01562118

 MMsINC code: MMs02224153
Type: Ionized
Formula: C10H19N2O4S2-
SMILES:   S(SC(C([NH3+])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-1/t5-,6+

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Potential Energy
Epot(MMFF94)=62.2075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.404 g/mol  logS: -2.86597  SlogP: -2.6374  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117741  Sterimol/B1: 2.33579  Sterimol/B2: 2.5348  Sterimol/B3: 4.52023
  Sterimol/B4: 5.25703  Sterimol/L: 14.4882 
 
 Surface and Volume Properties
  Accessible surface: 465.628  Positive charged surface: 255.766  Negative charged surface: 209.861  Volume: 263.125
  Hydrophobic surface: 153.192  Hydrophilic surface: 312.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  Basic groups: 1
  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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MMs02224152
NCID-ZINC01562118