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PUBCHEM-ZINC01842278

 MMsINC code: MMs02822135
Type: Neutral
Formula: C11H8S2
SMILES:   SC(=S)c1cc2c(cc1)cccc2
InChI:   InChI=1/C11H8S2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.5793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.317 g/mol  logS: -5.86537  SlogP: 3.4451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0107633  Sterimol/B1: 2.84679  Sterimol/B2: 3.2801  Sterimol/B3: 4.0102
  Sterimol/B4: 4.51802  Sterimol/L: 12.5939 
 
 Surface and Volume Properties
  Accessible surface: 398.339  Positive charged surface: 151.816  Negative charged surface: 235.452  Volume: 191.375
  Hydrophobic surface: 276.438  Hydrophilic surface: 121.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.