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ASINEX-ZINC04064201

 MMsINC code: MMs00299910
Type: Neutral
Formula: C4H8O5S2
SMILES:   S(O)(=O)(=O)C1CCS(=O)(=O)C1
InChI:   InChI=1/C4H8O5S2/c5-10(6)2-1-4(3-10)11(7,8)9/h4H,1-3H2,(H,7,8,9)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.76954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.235 g/mol  logS: -0.07287  SlogP: -1.5044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187116  Sterimol/B1: 2.45749  Sterimol/B2: 3.17708  Sterimol/B3: 3.23381
  Sterimol/B4: 4.73095  Sterimol/L: 9.5609 
 
 Surface and Volume Properties
  Accessible surface: 326.258  Positive charged surface: 146.838  Negative charged surface: 179.42  Volume: 138.375
  Hydrophobic surface: 134.784  Hydrophilic surface: 191.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs00299911
ASINEX-ZINC04064201