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ASINEX-ZINC00868790

 MMsINC code: MMs00200708
Type: Neutral
Formula: C19H15ClO4S
SMILES:   Clc1ccc(cc1)C(=O)CC(S(=O)(=O)c1ccccc1)c1occc1
InChI:   InChI=1/C19H15ClO4S/c20-15-10-8-14(9-11-15)17(21)13-19(18-7-4-12-24-18)25(22,23)16-5-2-1-3-6-16/h1-12,19H,13H2/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=74.1036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.844 g/mol  logS: -5.7605  SlogP: 4.8165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0586212  Sterimol/B1: 3.11974  Sterimol/B2: 3.87371  Sterimol/B3: 3.95969
  Sterimol/B4: 7.18953  Sterimol/L: 17.756 
 
 Surface and Volume Properties
  Accessible surface: 585.085  Positive charged surface: 261.792  Negative charged surface: 323.292  Volume: 328.375
  Hydrophobic surface: 518.695  Hydrophilic surface: 66.39
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.