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IBS-ZINC05279590

 MMsINC code: MMs01936831
Type: Neutral
Formula: C10H12O4S2
SMILES:   S(=O)(=O)(C1CCS(=O)(=O)C1)c1ccccc1
InChI:   InChI=1/C10H12O4S2/c11-15(12)7-6-10(8-15)16(13,14)9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=29.8411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.98735  SlogP: 0.6474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131167  Sterimol/B1: 3.20805  Sterimol/B2: 3.53267  Sterimol/B3: 4.64984
  Sterimol/B4: 4.7682  Sterimol/L: 12.4852 
 
 Surface and Volume Properties
  Accessible surface: 419.993  Positive charged surface: 193.178  Negative charged surface: 226.815  Volume: 210.25
  Hydrophobic surface: 289.452  Hydrophilic surface: 130.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.