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PUBCHEM-ZINC00460955

 MMsINC code: MMs02687240
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(cc2)CC(OC)=O)cc1
InChI:   InChI=1/C15H14ClNO4S/c1-21-15(18)10-11-2-6-13(7-3-11)17-22(19,20)14-8-4-12(16)5-9-14/h2-9,17H,10H2,1H3

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Potential Energy
Epot(MMFF94)=49.2196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.799 g/mol  logS: -4.22421  SlogP: 2.85627  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0912072  Sterimol/B1: 3.75071  Sterimol/B2: 3.92358  Sterimol/B3: 4.94325
  Sterimol/B4: 5.5176  Sterimol/L: 16.1934 
 
 Surface and Volume Properties
  Accessible surface: 552.022  Positive charged surface: 301.426  Negative charged surface: 250.596  Volume: 288.75
  Hydrophobic surface: 434.448  Hydrophilic surface: 117.574
 
 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.