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PUBCHEM-ZINC05769834

 MMsINC code: MMs03381349
Type: Neutral
Formula: C9H8ClNO2S3
SMILES:   Clc1sc(S(=O)(=O)NCc2sccc2)cc1
InChI:   InChI=1/C9H8ClNO2S3/c10-8-3-4-9(15-8)16(12,13)11-6-7-2-1-5-14-7/h1-5,11H,6H2

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Potential Energy
Epot(MMFF94)=8.89264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.819 g/mol  logS: -3.80799  SlogP: 3.2079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.095047  Sterimol/B1: 3.01776  Sterimol/B2: 3.2  Sterimol/B3: 4.20932
  Sterimol/B4: 5.45746  Sterimol/L: 14.4903 
 
 Surface and Volume Properties
  Accessible surface: 465.547  Positive charged surface: 152.849  Negative charged surface: 312.698  Volume: 225.625
  Hydrophobic surface: 376.969  Hydrophilic surface: 88.578
 
 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.