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NCID-ZINC05368683

 MMsINC code: MMs02454993
Type: Neutral
Formula: C20H26OS2
SMILES:   S(Sc1ccc(cc1)C(C)(C)C)(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C20H26OS2/c1-19(2,3)15-7-11-17(12-8-15)22-23(21)18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=109.57 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.559 g/mol  logS: -8.64187  SlogP: 6.0965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431579  Sterimol/B1: 2.6651  Sterimol/B2: 3.21811  Sterimol/B3: 4.57255
  Sterimol/B4: 4.5968  Sterimol/L: 19.1498 
 
 Surface and Volume Properties
  Accessible surface: 623.923  Positive charged surface: 369.269  Negative charged surface: 254.654  Volume: 350.75
  Hydrophobic surface: 482.857  Hydrophilic surface: 141.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.