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CHEMBLOCK-ZINC01052312

 MMsINC code: MMs00511090
Type: Neutral
Formula: C16H16ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(OC)=O)cc1
InChI:   InChI=1/C16H16ClNO4S/c1-22-16(19)15(11-12-5-3-2-4-6-12)18-23(20,21)14-9-7-13(17)8-10-14/h2-10,15,18H,11H2,1H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=46.3729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.826 g/mol  logS: -4.19469  SlogP: 2.40257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141126  Sterimol/B1: 2.45898  Sterimol/B2: 3.0891  Sterimol/B3: 4.42997
  Sterimol/B4: 8.31491  Sterimol/L: 15.8515 
 
 Surface and Volume Properties
  Accessible surface: 552.859  Positive charged surface: 286.766  Negative charged surface: 266.092  Volume: 305.875
  Hydrophobic surface: 470.42  Hydrophilic surface: 82.439
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.