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ENAMINE-ZINC02923622

 MMsINC code: MMs01288550
Type: Neutral
Formula: C22H30O4S
SMILES:   S(=O)(=O)(c1ccc(OCCCCC)cc1)c1ccc(OCCCCC)cc1
InChI:   InChI=1/C22H30O4S/c1-3-5-7-17-25-19-9-13-21(14-10-19)27(23,24)22-15-11-20(12-16-22)26-18-8-6-4-2/h9-16H,3-8,17-18H2,1-2H3

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Potential Energy
Epot(MMFF94)=68.8164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.544 g/mol  logS: -6.56903  SlogP: 5.6574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426249  Sterimol/B1: 2.12701  Sterimol/B2: 3.62649  Sterimol/B3: 5.45722
  Sterimol/B4: 8.9872  Sterimol/L: 23.5226 
 
 Surface and Volume Properties
  Accessible surface: 748.501  Positive charged surface: 493.613  Negative charged surface: 254.888  Volume: 397.5
  Hydrophobic surface: 632.123  Hydrophilic surface: 116.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.