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NCID-ZINC01572508

 MMsINC code: MMs02232216
Type: Neutral
Formula: C10H18N2O6S2
SMILES:   S(=O)(=O)(CC)C(=O)N1CCN(CC1)C(S(=O)(=O)CC)=O
InChI:   InChI=1/C10H18N2O6S2/c1-3-19(15,16)9(13)11-5-7-12(8-6-11)10(14)20(17,18)4-2/h3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=130.213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.394 g/mol  logS: -0.86122  SlogP: -0.2866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116811  Sterimol/B1: 2.17405  Sterimol/B2: 3.00545  Sterimol/B3: 4.22864
  Sterimol/B4: 7.14476  Sterimol/L: 13.4849 
 
 Surface and Volume Properties
  Accessible surface: 498.771  Positive charged surface: 281.719  Negative charged surface: 217.053  Volume: 261.25
  Hydrophobic surface: 273.85  Hydrophilic surface: 224.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.