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ENAMINE-ZINC06974623

 MMsINC code: MMs01717247
Type: Neutral
Formula: C12H13Cl2NO3S2
SMILES:   Clc1ccc(Cl)cc1SCC(=O)NC1CCS(=O)(=O)C1
InChI:   InChI=1/C12H13Cl2NO3S2/c13-8-1-2-10(14)11(5-8)19-6-12(16)15-9-3-4-20(17,18)7-9/h1-2,5,9H,3-4,6-7H2,(H,15,16)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=50.8375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.278 g/mol  logS: -4.50921  SlogP: 2.3888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0385251  Sterimol/B1: 3.55394  Sterimol/B2: 3.61165  Sterimol/B3: 4.48896
  Sterimol/B4: 5.72119  Sterimol/L: 16.2783 
 
 Surface and Volume Properties
  Accessible surface: 549.832  Positive charged surface: 233.005  Negative charged surface: 316.827  Volume: 277
  Hydrophobic surface: 403.673  Hydrophilic surface: 146.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.