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NCID-ZINC01672795

 MMsINC code: MMs02308884
Type: Neutral
Formula: C7H7ClO2S
SMILES:   ClCS(=O)(=O)c1ccccc1
InChI:   InChI=1/C7H7ClO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.1305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.65 g/mol  logS: -1.99635  SlogP: 1.6566  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.139666  Sterimol/B1: 3.31607  Sterimol/B2: 3.60527  Sterimol/B3: 3.64668
  Sterimol/B4: 3.71576  Sterimol/L: 10.3427 
 
 Surface and Volume Properties
  Accessible surface: 340.674  Positive charged surface: 139.679  Negative charged surface: 200.994  Volume: 155.375
  Hydrophobic surface: 210.007  Hydrophilic surface: 130.667
 
 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.