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ASINEX-ZINC04207127

 MMsINC code: MMs00317739
Type: Neutral
Formula: C6H10O4S2
SMILES:   S(CC(O)=O)C1CCS(=O)(=O)C1
InChI:   InChI=1/C6H10O4S2/c7-6(8)3-11-5-1-2-12(9,10)4-5/h5H,1-4H2,(H,7,8)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=24.5037 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.274 g/mol  logS: -1.04004  SlogP: -0.0087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0832825  Sterimol/B1: 2.4409  Sterimol/B2: 3.02283  Sterimol/B3: 3.26978
  Sterimol/B4: 5.15249  Sterimol/L: 12.1994 
 
 Surface and Volume Properties
  Accessible surface: 372.774  Positive charged surface: 198.863  Negative charged surface: 173.912  Volume: 164.75
  Hydrophobic surface: 168.075  Hydrophilic surface: 204.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00317740
ASINEX-ZINC04207127