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PUBCHEM-ZINC04904768

 MMsINC code: MMs03182620
Type: Neutral
Formula: C10H22N2O4S2
SMILES:   S(=O)(=O)(N1CC(N(S(=O)(=O)CC)CC1C)C)CC
InChI:   InChI=1/C10H22N2O4S2/c1-5-17(13,14)11-7-10(4)12(8-9(11)3)18(15,16)6-2/h9-10H,5-8H2,1-4H3/t9-,10+

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Potential Energy
Epot(MMFF94)=74.0202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.428 g/mol  logS: -0.8163  SlogP: 0.0804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683781  Sterimol/B1: 3.41157  Sterimol/B2: 3.42058  Sterimol/B3: 4.18276
  Sterimol/B4: 5.07569  Sterimol/L: 15.3034 
 
 Surface and Volume Properties
  Accessible surface: 478.184  Positive charged surface: 304.294  Negative charged surface: 173.89  Volume: 257.875
  Hydrophobic surface: 311.289  Hydrophilic surface: 166.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.