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NCID-ZINC01760519

 MMsINC code: MMs02367016
Type: Neutral
Formula: C14H14O4S6
SMILES:   S(SSSSS(=O)(=O)c1ccc(cc1)C)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H14O4S6/c1-11-3-7-13(8-4-11)23(15,16)21-19-20-22-24(17,18)14-9-5-12(2)6-10-14/h3-10H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.8048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.658 g/mol  logS: -8.93556  SlogP: 5.05884  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0437488  Sterimol/B1: 2.1967  Sterimol/B2: 3.27917  Sterimol/B3: 5.2096
  Sterimol/B4: 6.54134  Sterimol/L: 18.821 
 
 Surface and Volume Properties
  Accessible surface: 634.648  Positive charged surface: 242.023  Negative charged surface: 347.101  Volume: 346.5
  Hydrophobic surface: 522.413  Hydrophilic surface: 112.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.