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PUBCHEM-ZINC03622639

 MMsINC code: MMs03024752
Type: Neutral
Formula: C19H15Cl2NO5S
SMILES:   Clc1cc(Cl)cnc1Oc1ccc(OS(=O)(=O)c2ccc(OCC)cc2)cc1
InChI:   InChI=1/C19H15Cl2NO5S/c1-2-25-14-7-9-17(10-8-14)28(23,24)27-16-5-3-15(4-6-16)26-19-18(21)11-13(20)12-22-19/h3-12H,2H2,1H3

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Potential Energy
Epot(MMFF94)=109.7 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.303 g/mol  logS: -6.16421  SlogP: 5.3471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486112  Sterimol/B1: 2.41987  Sterimol/B2: 3.41895  Sterimol/B3: 4.0833
  Sterimol/B4: 9.45983  Sterimol/L: 19.1584 
 
 Surface and Volume Properties
  Accessible surface: 669.803  Positive charged surface: 324.116  Negative charged surface: 345.687  Volume: 361.375
  Hydrophobic surface: 558.837  Hydrophilic surface: 110.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.