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ASINEX-ZINC04797227

 MMsINC code: MMs00371149
Type: Neutral
Formula: C16H13NO2S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C16H13NO2S2/c18-21(19,16-7-4-12-20-16)17-15-10-8-14(9-11-15)13-5-2-1-3-6-13/h1-12,17H

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Potential Energy
Epot(MMFF94)=70.4939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.417 g/mol  logS: -5.43811  SlogP: 4.2159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150809  Sterimol/B1: 3.60156  Sterimol/B2: 4.08592  Sterimol/B3: 4.23302
  Sterimol/B4: 4.81907  Sterimol/L: 14.8706 
 
 Surface and Volume Properties
  Accessible surface: 521.749  Positive charged surface: 220.517  Negative charged surface: 290.699  Volume: 280.625
  Hydrophobic surface: 438.248  Hydrophilic surface: 83.501
 
 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.