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NCID-ZINC01690419

 MMsINC code: MMs02322737
Type: Neutral
Formula: C6H14S2
SMILES:   S(CCCCSC)C
InChI:   InChI=1/C6H14S2/c1-7-5-3-4-6-8-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.7391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.31 g/mol  logS: -1.97784  SlogP: 2.4926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388258  Sterimol/B1: 2.37484  Sterimol/B2: 2.37586  Sterimol/B3: 3.19447
  Sterimol/B4: 3.30118  Sterimol/L: 14.2107 
 
 Surface and Volume Properties
  Accessible surface: 375.466  Positive charged surface: 239.565  Negative charged surface: 135.901  Volume: 159.375
  Hydrophobic surface: 296.691  Hydrophilic surface: 78.775
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.