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IBS-ZINC04247665

 MMsINC code: MMs01882496
Type: Neutral
Formula: C13H10Cl2N2O2S
SMILES:   Clc1ccccc1/C(=N\S(=O)(=O)c1ccc(Cl)cc1)/N
InChI:   InChI=1/C13H10Cl2N2O2S/c14-9-5-7-10(8-6-9)20(18,19)17-13(16)11-3-1-2-4-12(11)15/h1-8H,(H2,16,17)

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Potential Energy
Epot(MMFF94)=62.5293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.207 g/mol  logS: -5.2473  SlogP: 3.0876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713504  Sterimol/B1: 3.61717  Sterimol/B2: 3.62007  Sterimol/B3: 4.43814
  Sterimol/B4: 4.57505  Sterimol/L: 15.7457 
 
 Surface and Volume Properties
  Accessible surface: 507.55  Positive charged surface: 199.236  Negative charged surface: 308.314  Volume: 265.75
  Hydrophobic surface: 406.943  Hydrophilic surface: 100.607
 
 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.