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NCID-ZINC05161062

 MMsINC code: MMs02445506
Type: Neutral
Formula: C5H10O4S
SMILES:   S1(=O)(=O)CC(O)(C)C(O)C1
InChI:   InChI=1/C5H10O4S/c1-5(7)3-10(8,9)2-4(5)6/h4,6-7H,2-3H2,1H3/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=38.1145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.197 g/mol  logS: 0.22732  SlogP: -1.4733  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.472311  Sterimol/B1: 2.50525  Sterimol/B2: 3.27273  Sterimol/B3: 4.13917
  Sterimol/B4: 4.30046  Sterimol/L: 8.18703 
 
 Surface and Volume Properties
  Accessible surface: 310.379  Positive charged surface: 175.674  Negative charged surface: 134.705  Volume: 132.75
  Hydrophobic surface: 137.191  Hydrophilic surface: 173.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.