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PUBCHEM-ZINC05469554

 MMsINC code: MMs03278821
Type: Neutral
Formula: C10H22N2O6S2
SMILES:   S(=O)(=O)(N(S(=O)(=O)C)CC(OCCN(CC)CC)=O)C
InChI:   InChI=1/C10H22N2O6S2/c1-5-11(6-2)7-8-18-10(13)9-12(19(3,14)15)20(4,16)17/h5-9H2,1-4H3

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Potential Energy
Epot(MMFF94)=7.06302 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.426 g/mol  logS: -0.47658  SlogP: -0.9074  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0900927  Sterimol/B1: 2.53135  Sterimol/B2: 3.79599  Sterimol/B3: 5.41152
  Sterimol/B4: 5.4984  Sterimol/L: 14.4634 
 
 Surface and Volume Properties
  Accessible surface: 545.935  Positive charged surface: 348.383  Negative charged surface: 197.551  Volume: 281.25
  Hydrophobic surface: 373.537  Hydrophilic surface: 172.398
 
 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


MMs03278822
PUBCHEM-ZINC05469554