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NCID-ZINC01715697

 MMsINC code: MMs02341493
Type: Neutral
Formula: C6H6O3S2
SMILES:   S(O)(=O)(=O)c1ccc(S)cc1
InChI:   InChI=1/C6H6O3S2/c7-11(8,9)6-3-1-5(10)2-4-6/h1-4,10H,(H,7,8,9)

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Potential Energy
Epot(MMFF94)=14.0773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.243 g/mol  logS: -2.45293  SlogP: 0.6563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529585  Sterimol/B1: 2.42135  Sterimol/B2: 2.61943  Sterimol/B3: 2.94197
  Sterimol/B4: 4.82704  Sterimol/L: 11.3385 
 
 Surface and Volume Properties
  Accessible surface: 342.123  Positive charged surface: 134.925  Negative charged surface: 207.198  Volume: 147.875
  Hydrophobic surface: 168.487  Hydrophilic surface: 173.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02341494
NCID-ZINC01715697