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NCID-ZINC01758497

 MMsINC code: MMs02365973
Type: Neutral
Formula: C7H14O7S
SMILES:   S(O)(=O)(=O)C(O)C(=O)C(OCCOC)C
InChI:   InChI=1/C7H14O7S/c1-5(14-4-3-13-2)6(8)7(9)15(10,11)12/h5,7,9H,3-4H2,1-2H3,(H,10,11,12)/t5-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=55.9332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.248 g/mol  logS: -0.23312  SlogP: -1.7525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0852823  Sterimol/B1: 2.22702  Sterimol/B2: 2.50575  Sterimol/B3: 4.35134
  Sterimol/B4: 5.79527  Sterimol/L: 14.6267 
 
 Surface and Volume Properties
  Accessible surface: 442.993  Positive charged surface: 288.691  Negative charged surface: 154.303  Volume: 196.125
  Hydrophobic surface: 236.718  Hydrophilic surface: 206.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02365974
NCID-ZINC01758497