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PUBCHEM-ZINC05665888

 MMsINC code: MMs03340077
Type: Neutral
Formula: C10H11ClO2S2
SMILES:   ClC1CS(=O)(=O)CC1Sc1ccccc1
InChI:   InChI=1/C10H11ClO2S2/c11-9-6-15(12,13)7-10(9)14-8-4-2-1-3-5-8/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)=41.4458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.781 g/mol  logS: -3.43157  SlogP: 2.603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0925945  Sterimol/B1: 3.1183  Sterimol/B2: 3.26915  Sterimol/B3: 4.47962
  Sterimol/B4: 4.67609  Sterimol/L: 13.0402 
 
 Surface and Volume Properties
  Accessible surface: 420.58  Positive charged surface: 177.233  Negative charged surface: 243.347  Volume: 215.25
  Hydrophobic surface: 269.368  Hydrophilic surface: 151.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.