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PUBCHEM-ZINC05836938

 MMsINC code: MMs03408518
Type: Neutral
Formula: C7H16S2
SMILES:   S(CCCSC)CCC
InChI:   InChI=1/C7H16S2/c1-3-5-9-7-4-6-8-2/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.81925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.337 g/mol  logS: -2.30505  SlogP: 2.8827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306137  Sterimol/B1: 2.11084  Sterimol/B2: 2.37503  Sterimol/B3: 2.37576
  Sterimol/B4: 3.64137  Sterimol/L: 15.5333 
 
 Surface and Volume Properties
  Accessible surface: 407.52  Positive charged surface: 280.368  Negative charged surface: 127.152  Volume: 177.5
  Hydrophobic surface: 315.316  Hydrophilic surface: 92.204
 
 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.