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PUBCHEM-ZINC03145392

 MMsINC code: MMs03001088
Type: Neutral
Formula: C16H26O4S2
SMILES:   S(=O)(=O)(C(S(=O)(=O)CCCC)CC(C)(C)C)c1ccccc1
InChI:   InChI=1/C16H26O4S2/c1-5-6-12-21(17,18)15(13-16(2,3)4)22(19,20)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=45.947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.512 g/mol  logS: -4.63631  SlogP: 3.4375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145874  Sterimol/B1: 2.4932  Sterimol/B2: 3.5428  Sterimol/B3: 4.60799
  Sterimol/B4: 7.68564  Sterimol/L: 13.9939 
 
 Surface and Volume Properties
  Accessible surface: 538.212  Positive charged surface: 316.736  Negative charged surface: 221.476  Volume: 325.75
  Hydrophobic surface: 384.115  Hydrophilic surface: 154.097
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.