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ENAMINE-ZINC03211558

 MMsINC code: MMs01307815
Type: Neutral
Formula: C13H14ClNO2S2
SMILES:   Clc1ccc(S(=O)(=O)NC(Cc2sccc2)C)cc1
InChI:   InChI=1/C13H14ClNO2S2/c1-10(9-12-3-2-8-18-12)15-19(16,17)13-6-4-11(14)5-7-13/h2-8,10,15H,9H2,1H3/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=18.2388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.845 g/mol  logS: -3.9204  SlogP: 3.31097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.293973  Sterimol/B1: 3.45295  Sterimol/B2: 4.21818  Sterimol/B3: 4.90538
  Sterimol/B4: 5.33904  Sterimol/L: 12.5033 
 
 Surface and Volume Properties
  Accessible surface: 467.398  Positive charged surface: 219.021  Negative charged surface: 248.378  Volume: 272.125
  Hydrophobic surface: 376.609  Hydrophilic surface: 90.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.