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MDPI-ZINC04293607

 MMsINC code: MMs02187434
Type: Neutral
Formula: C9H10ClNO2S2
SMILES:   Cl\C(\SC)=N\S(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C9H10ClNO2S2/c1-7-3-5-8(6-4-7)15(12,13)11-9(10)14-2/h3-6H,1-2H3/b11-9-

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Potential Energy
Epot(MMFF94)=18.4561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.769 g/mol  logS: -4.40661  SlogP: 2.64152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438346  Sterimol/B1: 3.54341  Sterimol/B2: 3.55307  Sterimol/B3: 3.79045
  Sterimol/B4: 4.00791  Sterimol/L: 14.8289 
 
 Surface and Volume Properties
  Accessible surface: 448.732  Positive charged surface: 185.611  Negative charged surface: 263.121  Volume: 216.125
  Hydrophobic surface: 295.573  Hydrophilic surface: 153.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.