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IFLAB-ZINC02693168

 MMsINC code: MMs01994329
Type: Neutral
Formula: C10H7ClN2O3S2
SMILES:   Clc1ccc(S(=O)(=O)C2=CNC(=S)NC2=O)cc1
InChI:   InChI=1/C10H7ClN2O3S2/c11-6-1-3-7(4-2-6)18(15,16)8-5-12-10(17)13-9(8)14/h1-5H,(H2,12,13,14,17)

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Potential Energy
Epot(MMFF94)=11.738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.762 g/mol  logS: -4.38288  SlogP: 0.9594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156149  Sterimol/B1: 2.82474  Sterimol/B2: 3.77187  Sterimol/B3: 4.84319
  Sterimol/B4: 4.86738  Sterimol/L: 14.3981 
 
 Surface and Volume Properties
  Accessible surface: 450.912  Positive charged surface: 153.458  Negative charged surface: 297.454  Volume: 228.5
  Hydrophobic surface: 231.794  Hydrophilic surface: 219.118
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.