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PUBCHEM-ZINC06157891

 MMsINC code: MMs03568915
Type: Neutral
Formula: C12H11ClN2O2S2
SMILES:   Clc1ccc(S(=O)(=O)N\N=C(/C)\c2sccc2)cc1
InChI:   InChI=1/C12H11ClN2O2S2/c1-9(12-3-2-8-18-12)14-15-19(16,17)11-6-4-10(13)5-7-11/h2-8,15H,1H3/b14-9-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.0352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.817 g/mol  logS: -4.35976  SlogP: 3.104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132167  Sterimol/B1: 2.03873  Sterimol/B2: 4.00179  Sterimol/B3: 5.21326
  Sterimol/B4: 7.16775  Sterimol/L: 14.7008 
 
 Surface and Volume Properties
  Accessible surface: 506.508  Positive charged surface: 201.345  Negative charged surface: 305.163  Volume: 259.25
  Hydrophobic surface: 421.906  Hydrophilic surface: 84.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.