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PUBCHEM-ZINC01176949

 MMsINC code: MMs02783707
Type: Neutral
Formula: C20H18ClNO4S2
SMILES:   Clc1ccc(S(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(cc3)C)c(cc2)C)cc1
InChI:   InChI=1/C20H18ClNO4S2/c1-14-3-8-17(9-4-14)22-28(25,26)20-13-19(10-5-15(20)2)27(23,24)18-11-6-16(21)7-12-18/h3-13,22H,1-2H3

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Potential Energy
Epot(MMFF94)=77.6426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.952 g/mol  logS: -6.37995  SlogP: 4.59044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146838  Sterimol/B1: 2.36267  Sterimol/B2: 3.31791  Sterimol/B3: 5.44932
  Sterimol/B4: 8.68361  Sterimol/L: 17.6098 
 
 Surface and Volume Properties
  Accessible surface: 640.436  Positive charged surface: 276.731  Negative charged surface: 363.704  Volume: 370.25
  Hydrophobic surface: 514.742  Hydrophilic surface: 125.694
 
 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.