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ENAMINE-ZINC03185528

 MMsINC code: MMs01299255
Type: Neutral
Formula: C10H12O5S2
SMILES:   S(=O)(=O)(C1CS(=O)(=O)CC1O)c1ccccc1
InChI:   InChI=1/C10H12O5S2/c11-9-6-16(12,13)7-10(9)17(14,15)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=29.7444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.333 g/mol  logS: -1.58304  SlogP: -0.3818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151079  Sterimol/B1: 3.61308  Sterimol/B2: 3.88643  Sterimol/B3: 4.31127
  Sterimol/B4: 4.92564  Sterimol/L: 12.4668 
 
 Surface and Volume Properties
  Accessible surface: 429.673  Positive charged surface: 203.375  Negative charged surface: 226.298  Volume: 217.5
  Hydrophobic surface: 265.887  Hydrophilic surface: 163.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.