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PUBCHEM-ZINC05212375

 MMsINC code: MMs03224576
Type: Neutral
Formula: C11H14S2
SMILES:   S1Cc2cc(C)c(cc2CSC1)C
InChI:   InChI=1/C11H14S2/c1-8-3-10-5-12-7-13-6-11(10)4-9(8)2/h3-4H,5-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.8829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.365 g/mol  logS: -4.11794  SlogP: 4.27374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0831278  Sterimol/B1: 2.53058  Sterimol/B2: 3.02058  Sterimol/B3: 3.09578
  Sterimol/B4: 5.42555  Sterimol/L: 11.1694 
 
 Surface and Volume Properties
  Accessible surface: 399.958  Positive charged surface: 237.173  Negative charged surface: 162.786  Volume: 206.75
  Hydrophobic surface: 289.326  Hydrophilic surface: 110.632
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.