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MAYBRIDGE-ZINC01043219

 MMsINC code: MMs02155038
Type: Neutral
Formula: C5H5ClN2O2S
SMILES:   Clc1cnc(S(=O)(=O)C)nc1
InChI:   InChI=1/C5H5ClN2O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.8556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.626 g/mol  logS: -1.76446  SlogP: 0.5335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122974  Sterimol/B1: 2.04496  Sterimol/B2: 3.62226  Sterimol/B3: 3.62382
  Sterimol/B4: 4.08921  Sterimol/L: 11.4587 
 
 Surface and Volume Properties
  Accessible surface: 342.979  Positive charged surface: 163.984  Negative charged surface: 178.994  Volume: 144.625
  Hydrophobic surface: 245.084  Hydrophilic surface: 97.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.