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CHEMDIV-ZINC02503371

 MMsINC code: MMs00883042
Type: Neutral
Formula: C14H17NO3S3
SMILES:   s1cccc1CSCCNS(=O)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C14H17NO3S3/c1-18-12-4-6-14(7-5-12)21(16,17)15-8-10-19-11-13-3-2-9-20-13/h2-7,9,15H,8,10-11H2,1H3

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Potential Energy
Epot(MMFF94)=37.8363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.492 g/mol  logS: -3.83969  SlogP: 3.2348  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510023  Sterimol/B1: 2.24032  Sterimol/B2: 3.73427  Sterimol/B3: 4.01966
  Sterimol/B4: 8.70627  Sterimol/L: 16.7297 
 
 Surface and Volume Properties
  Accessible surface: 598.215  Positive charged surface: 332.638  Negative charged surface: 265.577  Volume: 299.5
  Hydrophobic surface: 469.936  Hydrophilic surface: 128.279
 
 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.