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ENAMINE-ZINC03185536

 MMsINC code: MMs01299257
Type: Neutral
Formula: C6H10O3S2
SMILES:   S(C(=O)C)C1CCS(=O)(=O)C1
InChI:   InChI=1/C6H10O3S2/c1-5(7)10-6-2-3-11(8,9)4-6/h6H,2-4H2,1H3/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=14.6009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.275 g/mol  logS: -1.43887  SlogP: 0.4532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0952707  Sterimol/B1: 2.90462  Sterimol/B2: 3.12075  Sterimol/B3: 3.63647
  Sterimol/B4: 3.7369  Sterimol/L: 10.9377 
 
 Surface and Volume Properties
  Accessible surface: 353.446  Positive charged surface: 182.118  Negative charged surface: 171.328  Volume: 160.125
  Hydrophobic surface: 216.851  Hydrophilic surface: 136.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.