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PUBCHEM-ZINC06096484

 MMsINC code: MMs03542580
Type: Neutral
Formula: C7H8S2
SMILES:   S(S)Cc1ccccc1
InChI:   InChI=1/C7H8S2/c8-9-6-7-4-2-1-3-5-7/h1-5,8H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.6102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.273 g/mol  logS: -3.4507  SlogP: 3.031  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.168048  Sterimol/B1: 2.8885  Sterimol/B2: 3.27625  Sterimol/B3: 3.33527
  Sterimol/B4: 4.33154  Sterimol/L: 9.90038 
 
 Surface and Volume Properties
  Accessible surface: 335.165  Positive charged surface: 161.716  Negative charged surface: 173.449  Volume: 148.25
  Hydrophobic surface: 283.388  Hydrophilic surface: 51.777
 
 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.