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NCID-ZINC01667915

 MMsINC code: MMs02304049
Type: Neutral
Formula: C5H10O7S2
SMILES:   S(O)(=O)(=O)C1CCCC1OS(O)(=O)=O
InChI:   InChI=1/C5H10O7S2/c6-13(7,8)5-3-1-2-4(5)12-14(9,10)11/h4-5H,1-3H2,(H,6,7,8)(H,9,10,11)/t4-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=-6.97961 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.26 g/mol  logS: -0.64035  SlogP: -1.5167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18412  Sterimol/B1: 2.13778  Sterimol/B2: 3.12081  Sterimol/B3: 3.49429
  Sterimol/B4: 6.70253  Sterimol/L: 9.74961 
 
 Surface and Volume Properties
  Accessible surface: 372.394  Positive charged surface: 196.065  Negative charged surface: 176.329  Volume: 166.875
  Hydrophobic surface: 150.611  Hydrophilic surface: 221.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  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


MMs02304050
NCID-ZINC01667915