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PUBCHEM-ZINC02543394

 MMsINC code: MMs02897495
Type: Neutral
Formula: C12H9Cl2NO4S2
SMILES:   Clc1cc(Cl)ccc1S(=O)(=O)Nc1ccsc1C(OC)=O
InChI:   InChI=1/C12H9Cl2NO4S2/c1-19-12(16)11-9(4-5-20-11)15-21(17,18)10-3-2-7(13)6-8(10)14/h2-6,15H,1H3

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Potential Energy
Epot(MMFF94)=33.3172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.245 g/mol  logS: -4.7037  SlogP: 3.6423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869028  Sterimol/B1: 3.28864  Sterimol/B2: 4.44878  Sterimol/B3: 4.63396
  Sterimol/B4: 5.31438  Sterimol/L: 16.0624 
 
 Surface and Volume Properties
  Accessible surface: 522.823  Positive charged surface: 202.896  Negative charged surface: 319.927  Volume: 273
  Hydrophobic surface: 420.682  Hydrophilic surface: 102.141
 
 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.