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PUBCHEM-ZINC05392660

 MMsINC code: MMs03255955
Type: Neutral
Formula: C10H9Cl2N3O2S3
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1sc(SCC)nn1
InChI:   InChI=1/C10H9Cl2N3O2S3/c1-2-18-10-14-13-9(19-10)15-20(16,17)8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=-4.98035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.305 g/mol  logS: -6.40386  SlogP: 3.7577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959716  Sterimol/B1: 3.69732  Sterimol/B2: 4.28427  Sterimol/B3: 4.84477
  Sterimol/B4: 5.42178  Sterimol/L: 13.8324 
 
 Surface and Volume Properties
  Accessible surface: 538.995  Positive charged surface: 198.476  Negative charged surface: 340.52  Volume: 275.625
  Hydrophobic surface: 365.901  Hydrophilic surface: 173.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.