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ENAMINE-ZINC00241748

 MMsINC code: MMs01227439
Type: Neutral
Formula: C10H8ClNO2S2
SMILES:   Clc1ccccc1NS(=O)(=O)c1sccc1
InChI:   InChI=1/C10H8ClNO2S2/c11-8-4-1-2-5-9(8)12-16(13,14)10-6-3-7-15-10/h1-7,12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.4925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.764 g/mol  logS: -3.74602  SlogP: 3.2023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.255659  Sterimol/B1: 2.95253  Sterimol/B2: 3.75959  Sterimol/B3: 5.42043
  Sterimol/B4: 5.86329  Sterimol/L: 11.0748 
 
 Surface and Volume Properties
  Accessible surface: 427.021  Positive charged surface: 162.81  Negative charged surface: 264.211  Volume: 217.5
  Hydrophobic surface: 349.916  Hydrophilic surface: 77.105
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.