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NCID-ZINC01670390

 MMsINC code: MMs02306427
Type: Neutral
Formula: C12H8S2-2
SMILES:   [S-]c1ccc(cc1)-c1ccc([S-])cc1
InChI:   InChI=1/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.3821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.328 g/mol  logS: -6.11482  SlogP: 3.1652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560563  Sterimol/B1: 2.09726  Sterimol/B2: 2.33469  Sterimol/B3: 3.1709
  Sterimol/B4: 4.49046  Sterimol/L: 15.3971 
 
 Surface and Volume Properties
  Accessible surface: 417.968  Positive charged surface: 138.817  Negative charged surface: 275.43  Volume: 208.875
  Hydrophobic surface: 270.715  Hydrophilic surface: 147.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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


MMs02306428
NCID-ZINC01670390