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NCID-ZINC01744691

 MMsINC code: MMs02360365
Type: Neutral
Formula: C8H10ClNO2S
SMILES:   ClCN(S(=O)(=O)c1ccccc1)C
InChI:   InChI=1/C8H10ClNO2S/c1-10(7-9)13(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.45464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.692 g/mol  logS: -1.76922  SlogP: 1.5034  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.135158  Sterimol/B1: 2.25974  Sterimol/B2: 2.5933  Sterimol/B3: 4.30182
  Sterimol/B4: 5.08792  Sterimol/L: 11.7686 
 
 Surface and Volume Properties
  Accessible surface: 386.816  Positive charged surface: 191.773  Negative charged surface: 195.043  Volume: 186
  Hydrophobic surface: 261.483  Hydrophilic surface: 125.333
 
 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.