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NCID-ZINC01571883

 MMsINC code: MMs02231825
Type: Neutral
Formula: C14H10S6
SMILES:   S(C(SSC(Sc1ccccc1)=S)=S)c1ccccc1
InChI:   InChI=1/C14H10S6/c15-13(17-11-7-3-1-4-8-11)19-20-14(16)18-12-9-5-2-6-10-12/h1-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.63 g/mol  logS: -10.7108  SlogP: 6.5222  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0492867  Sterimol/B1: 2.97709  Sterimol/B2: 3.50097  Sterimol/B3: 4.49834
  Sterimol/B4: 6.90863  Sterimol/L: 15.8312 
 
 Surface and Volume Properties
  Accessible surface: 567.731  Positive charged surface: 217.703  Negative charged surface: 350.028  Volume: 312.5
  Hydrophobic surface: 429.061  Hydrophilic surface: 138.67
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.