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PUBCHEM-ZINC05170595

 MMsINC code: MMs03219990
Type: Neutral
Formula: C10H11ClO4S2
SMILES:   ClC1CS(=O)(=O)CC1S(=O)(=O)c1ccccc1
InChI:   InChI=1/C10H11ClO4S2/c11-9-6-16(12,13)7-10(9)17(14,15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.779 g/mol  logS: -2.55086  SlogP: 1.2846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15347  Sterimol/B1: 3.09331  Sterimol/B2: 3.30441  Sterimol/B3: 4.63281
  Sterimol/B4: 4.96675  Sterimol/L: 12.8658 
 
 Surface and Volume Properties
  Accessible surface: 429.276  Positive charged surface: 175.244  Negative charged surface: 254.032  Volume: 224.25
  Hydrophobic surface: 265.067  Hydrophilic surface: 164.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.