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PUBCHEM-ZINC03621184

 MMsINC code: MMs03024297
Type: Neutral
Formula: C7H7ClO3S
SMILES:   Clc1cc(S(=O)(=O)C)ccc1O
InChI:   InChI=1/C7H7ClO3S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.9083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.649 g/mol  logS: -1.89791  SlogP: 1.4491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101472  Sterimol/B1: 2.06014  Sterimol/B2: 3.77219  Sterimol/B3: 4.09964
  Sterimol/B4: 4.58943  Sterimol/L: 11.0332 
 
 Surface and Volume Properties
  Accessible surface: 354.201  Positive charged surface: 146.76  Negative charged surface: 207.441  Volume: 161.75
  Hydrophobic surface: 241.637  Hydrophilic surface: 112.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.