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PUBCHEM-ZINC05772208

 MMsINC code: MMs03381967
Type: Neutral
Formula: C13H8ClN3O3S3
SMILES:   Clc1ccccc1-c1sc(S(=O)(=O)NC(=O)c2sccc2)nn1
InChI:   InChI=1/C13H8ClN3O3S3/c14-9-5-2-1-4-8(9)12-15-16-13(22-12)23(19,20)17-11(18)10-6-3-7-21-10/h1-7H,(H,17,18)

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Potential Energy
Epot(MMFF94)=39.9373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.876 g/mol  logS: -6.74279  SlogP: 3.0387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301055  Sterimol/B1: 3.24114  Sterimol/B2: 3.90478  Sterimol/B3: 4.97829
  Sterimol/B4: 5.1067  Sterimol/L: 17.1723 
 
 Surface and Volume Properties
  Accessible surface: 560.699  Positive charged surface: 191.035  Negative charged surface: 369.664  Volume: 290.75
  Hydrophobic surface: 420.019  Hydrophilic surface: 140.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.