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PUBCHEM-ZINC00480754

 MMsINC code: MMs02689756
Type: Neutral
Formula: C11H10O2S3
SMILES:   s1cc(S(=O)(=O)c2ccccc2)c(SC)c1
InChI:   InChI=1/C11H10O2S3/c1-14-10-7-15-8-11(10)16(12,13)9-5-3-2-4-6-9/h2-8H,1H3

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Potential Energy
Epot(MMFF94)=55.7258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.397 g/mol  logS: -4.02458  SlogP: 3.3028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149213  Sterimol/B1: 2.50966  Sterimol/B2: 3.43614  Sterimol/B3: 4.39317
  Sterimol/B4: 7.30952  Sterimol/L: 10.9145 
 
 Surface and Volume Properties
  Accessible surface: 432.716  Positive charged surface: 174.748  Negative charged surface: 257.968  Volume: 226.75
  Hydrophobic surface: 361.852  Hydrophilic surface: 70.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.