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PUBCHEM-ZINC06070599

 MMsINC code: MMs03523449
Type: Neutral
Formula: C16H18S2
SMILES:   S(Sc1cc(cc(c1)C)C)c1ccc(cc1C)C
InChI:   InChI=1/C16H18S2/c1-11-5-6-16(14(4)8-11)18-17-15-9-12(2)7-13(3)10-15/h5-10H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.1884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.452 g/mol  logS: -6.91617  SlogP: 5.71968  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.155794  Sterimol/B1: 2.26108  Sterimol/B2: 2.84116  Sterimol/B3: 6.19208
  Sterimol/B4: 6.45789  Sterimol/L: 14.0069 
 
 Surface and Volume Properties
  Accessible surface: 521.013  Positive charged surface: 283.88  Negative charged surface: 237.132  Volume: 279.75
  Hydrophobic surface: 521.013  Hydrophilic surface: 0
 
 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.