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NCID-ZINC05052135

 MMsINC code: MMs02433725
Type: Neutral
Formula: C10H22N2O6S4
SMILES:   S(S(O)(=O)=O)CCNC1CCC(NCCSS(O)(=O)=O)CC1
InChI:   InChI=1/C10H22N2O6S4/c13-21(14,15)19-7-5-11-9-1-2-10(4-3-9)12-6-8-20-22(16,17)18/h9-12H,1-8H2,(H,13,14,15)(H,16,17,18)/t9-,10-

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Potential Energy
Epot(MMFF94)=-13.99 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.558 g/mol  logS: -2.32904  SlogP: -0.5826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597353  Sterimol/B1: 2.37487  Sterimol/B2: 3.3955  Sterimol/B3: 4.30843
  Sterimol/B4: 5.16935  Sterimol/L: 19.2111 
 
 Surface and Volume Properties
  Accessible surface: 610.93  Positive charged surface: 335.098  Negative charged surface: 275.832  Volume: 308.125
  Hydrophobic surface: 262.226  Hydrophilic surface: 348.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 8  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.