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ASINEX-ZINC03012442

 MMsINC code: MMs00283394
Type: Neutral
Formula: C20H26OS2
SMILES:   S(CCCC)c1ccc(Oc2ccc(SCCCC)cc2)cc1
InChI:   InChI=1/C20H26OS2/c1-3-5-15-22-19-11-7-17(8-12-19)21-18-9-13-20(14-10-18)23-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3

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Potential Energy
Epot(MMFF94)=62.1619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.559 g/mol  logS: -7.29879  SlogP: 7.2633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193969  Sterimol/B1: 2.41089  Sterimol/B2: 3.01148  Sterimol/B3: 3.21406
  Sterimol/B4: 7.88669  Sterimol/L: 23.0078 
 
 Surface and Volume Properties
  Accessible surface: 676.171  Positive charged surface: 428.319  Negative charged surface: 247.852  Volume: 359.125
  Hydrophobic surface: 561.094  Hydrophilic surface: 115.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.