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NCID-ZINC01658270

 MMsINC code: MMs02296204
Type: Neutral
Formula: C7H6S5
SMILES:   S1SSSSc2c1cc(cc2)C
InChI:   InChI=1/C7H6S5/c1-5-2-3-6-7(4-5)9-11-12-10-8-6/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.45303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.455 g/mol  logS: -7.47376  SlogP: 5.05242  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.067679  Sterimol/B1: 2.87067  Sterimol/B2: 3.4819  Sterimol/B3: 3.78791
  Sterimol/B4: 4.75796  Sterimol/L: 11.5897 
 
 Surface and Volume Properties
  Accessible surface: 388.021  Positive charged surface: 111.802  Negative charged surface: 144.897  Volume: 196.625
  Hydrophobic surface: 388.021  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.