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ACROSORGANICS-ZINC01091783

 MMsINC code: MMs00008667
Type: Neutral
Formula: C14H14S2
SMILES:   S(Sc1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.2202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.398 g/mol  logS: -6.28178  SlogP: 5.10284  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.126409  Sterimol/B1: 2.44029  Sterimol/B2: 3.1579  Sterimol/B3: 4.26605
  Sterimol/B4: 6.52385  Sterimol/L: 14.0972 
 
 Surface and Volume Properties
  Accessible surface: 478.011  Positive charged surface: 236.953  Negative charged surface: 241.058  Volume: 246.75
  Hydrophobic surface: 478.011  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.