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NCID-ZINC01597180

 MMsINC code: MMs02251092
Type: Neutral
Formula: C8H10ClNO2S
SMILES:   Clc1ccc(S(=O)(=O)N(C)C)cc1
InChI:   InChI=1/C8H10ClNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.3216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.692 g/mol  logS: -2.03273  SlogP: 1.5903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136989  Sterimol/B1: 2.34975  Sterimol/B2: 2.5767  Sterimol/B3: 4.31164
  Sterimol/B4: 4.88749  Sterimol/L: 11.752 
 
 Surface and Volume Properties
  Accessible surface: 386.835  Positive charged surface: 203.458  Negative charged surface: 183.377  Volume: 184.75
  Hydrophobic surface: 331.481  Hydrophilic surface: 55.354
 
 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.