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NCID-ZINC04897052

 MMsINC code: MMs02414077
Type: Neutral
Formula: C8H16O10S3
SMILES:   S(OC1C(O)C(O)C(OC1OC)CSS(O)(=O)=O)(=O)(=O)C
InChI:   InChI=1/C8H16O10S3/c1-16-8-7(18-20(2,11)12)6(10)5(9)4(17-8)3-19-21(13,14)15/h4-10H,3H2,1-2H3,(H,13,14,15)/t4-,5+,6+,7+,8+/m0/s1

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Potential Energy
Epot(MMFF94)=50.3215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.404 g/mol  logS: -0.99039  SlogP: -2.6054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1472  Sterimol/B1: 2.23696  Sterimol/B2: 3.50593  Sterimol/B3: 4.29662
  Sterimol/B4: 6.91473  Sterimol/L: 14.7326 
 
 Surface and Volume Properties
  Accessible surface: 494.76  Positive charged surface: 271.626  Negative charged surface: 223.135  Volume: 264.5
  Hydrophobic surface: 203.563  Hydrophilic surface: 291.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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


MMs02414078
NCID-ZINC04897052