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CHEMDIV-ZINC02503824

 MMsINC code: MMs00883137
Type: Neutral
Formula: C20H18ClNO5S2
SMILES:   Clc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccccc3)c(O)c(C)c2C)cc1
InChI:   InChI=1/C20H18ClNO5S2/c1-13-14(2)20(23)19(28(24,25)16-6-4-3-5-7-16)12-18(13)22-29(26,27)17-10-8-15(21)9-11-17/h3-12,22-23H,1-2H3

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Potential Energy
Epot(MMFF94)=81.1485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.951 g/mol  logS: -5.70455  SlogP: 4.29604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18745  Sterimol/B1: 2.68052  Sterimol/B2: 3.85755  Sterimol/B3: 6.49494
  Sterimol/B4: 7.52946  Sterimol/L: 16.5772 
 
 Surface and Volume Properties
  Accessible surface: 642.378  Positive charged surface: 285.156  Negative charged surface: 357.221  Volume: 376.125
  Hydrophobic surface: 498.928  Hydrophilic surface: 143.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.