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PUBCHEM-ZINC06030751

 MMsINC code: MMs03503261
Type: Neutral
Formula: C15H15ClN2O4S
SMILES:   Clc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C15H15ClN2O4S/c1-11-6-8-12(9-7-11)23(20,21)18-17-15(19)10-22-14-5-3-2-4-13(14)16/h2-9,18H,10H2,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=106.201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.814 g/mol  logS: -4.84292  SlogP: 2.03692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0289381  Sterimol/B1: 2.36293  Sterimol/B2: 2.63572  Sterimol/B3: 4.04217
  Sterimol/B4: 7.89603  Sterimol/L: 17.2574 
 
 Surface and Volume Properties
  Accessible surface: 592.629  Positive charged surface: 281.177  Negative charged surface: 311.452  Volume: 300.875
  Hydrophobic surface: 456.527  Hydrophilic surface: 136.102
 
 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.