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ASINEX-ZINC04207129

 MMsINC code: MMs00317741
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-/m0/s1

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Potential Energy
Epot(MMFF94)=23.8358 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: 0.0804295  Sterimol/B1: 2.38159  Sterimol/B2: 2.94812  Sterimol/B3: 3.08011
  Sterimol/B4: 4.98762  Sterimol/L: 12.132 
 
 Surface and Volume Properties
  Accessible surface: 376.516  Positive charged surface: 203.369  Negative charged surface: 173.147  Volume: 166.5
  Hydrophobic surface: 169.117  Hydrophilic surface: 207.399
 
 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


MMs00317742
ASINEX-ZINC04207129