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ASINEX-ZINC00805470

 MMsINC code: MMs00172382
Type: Neutral
Formula: C19H16ClNO4S2
SMILES:   Clc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C)cc1
InChI:   InChI=1/C19H16ClNO4S2/c1-14-7-12-18(26(22,23)17-5-3-2-4-6-17)13-19(14)27(24,25)21-16-10-8-15(20)9-11-16/h2-13,21H,1H3

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Potential Energy
Epot(MMFF94)=71.9831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.925 g/mol  logS: -5.90603  SlogP: 4.28202  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237677  Sterimol/B1: 3.07981  Sterimol/B2: 3.47357  Sterimol/B3: 5.48687
  Sterimol/B4: 8.6976  Sterimol/L: 12.5631 
 
 Surface and Volume Properties
  Accessible surface: 572.572  Positive charged surface: 247.799  Negative charged surface: 324.773  Volume: 352.75
  Hydrophobic surface: 442.631  Hydrophilic surface: 129.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.