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PUBCHEM-ZINC02168411

 MMsINC code: MMs02879514
Type: Neutral
Formula: C6H14S4
SMILES:   S(SSSCCC)CCC
InChI:   InChI=1/C6H14S4/c1-3-5-7-9-10-8-6-4-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-22.5761 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.442 g/mol  logS: -4.95178  SlogP: 4.4842  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0391  Sterimol/B1: 2.15075  Sterimol/B2: 2.89587  Sterimol/B3: 3.06542
  Sterimol/B4: 4.7097  Sterimol/L: 14.7827 
 
 Surface and Volume Properties
  Accessible surface: 434.228  Positive charged surface: 245.328  Negative charged surface: 129.465  Volume: 199
  Hydrophobic surface: 316.085  Hydrophilic surface: 118.143
 
 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.