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ASINEX-ZINC00241766

 MMsINC code: MMs00097424
Type: Neutral
Formula: C14H11NO2S2
SMILES:   s1cccc1S(=O)(=O)Nc1cc2c(cc1)cccc2
InChI:   InChI=1/C14H11NO2S2/c16-19(17,14-6-3-9-18-14)15-13-8-7-11-4-1-2-5-12(11)10-13/h1-10,15H

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Potential Energy
Epot(MMFF94)=53.1275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.379 g/mol  logS: -4.88961  SlogP: 3.7021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.221899  Sterimol/B1: 3.40944  Sterimol/B2: 4.21286  Sterimol/B3: 4.44728
  Sterimol/B4: 4.81003  Sterimol/L: 12.6418 
 
 Surface and Volume Properties
  Accessible surface: 472.117  Positive charged surface: 206.129  Negative charged surface: 257.358  Volume: 249.625
  Hydrophobic surface: 389.146  Hydrophilic surface: 82.971
 
 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.