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ASINEX-ZINC04893664

 MMsINC code: MMs00396942
Type: Neutral
Formula: C19H15ClO4S
SMILES:   Clc1ccc(S(=O)(=O)C(CC(=O)c2ccccc2)c2occc2)cc1
InChI:   InChI=1/C19H15ClO4S/c20-15-8-10-16(11-9-15)25(22,23)19(18-7-4-12-24-18)13-17(21)14-5-2-1-3-6-14/h1-12,19H,13H2/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=75.8734 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: 0.0567984  Sterimol/B1: 3.84825  Sterimol/B2: 3.97877  Sterimol/B3: 4.61997
  Sterimol/B4: 5.96047  Sterimol/L: 17.6619 
 
 Surface and Volume Properties
  Accessible surface: 587.841  Positive charged surface: 264.215  Negative charged surface: 323.626  Volume: 326.5
  Hydrophobic surface: 520.819  Hydrophilic surface: 67.022
 
 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.