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PUBCHEM-ZINC00581998

 MMsINC code: MMs02709858
Type: Neutral
Formula: C15H17NO2S2
SMILES:   S(C)c1ccc(S(=O)(=O)Nc2cc(C)c(cc2)C)cc1
InChI:   InChI=1/C15H17NO2S2/c1-11-4-5-13(10-12(11)2)16-20(17,18)15-8-6-14(19-3)7-9-15/h4-10,16H,1-3H3

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Potential Energy
Epot(MMFF94)=53.1904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.438 g/mol  logS: -5.01596  SlogP: 3.82614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200457  Sterimol/B1: 3.36084  Sterimol/B2: 3.43544  Sterimol/B3: 5.01146
  Sterimol/B4: 7.85336  Sterimol/L: 13.247 
 
 Surface and Volume Properties
  Accessible surface: 526.828  Positive charged surface: 272.173  Negative charged surface: 254.655  Volume: 281.375
  Hydrophobic surface: 403.894  Hydrophilic surface: 122.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.