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PUBCHEM-ZINC02167290

 MMsINC code: MMs02879219
Type: Neutral
Formula: C7H16S
SMILES:   S(CCCCCC)C
InChI:   InChI=1/C7H16S/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.42777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.271 g/mol  logS: -2.65706  SlogP: 2.9297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448216  Sterimol/B1: 2.37534  Sterimol/B2: 2.37544  Sterimol/B3: 2.87248
  Sterimol/B4: 3.08274  Sterimol/L: 13.8367 
 
 Surface and Volume Properties
  Accessible surface: 375.666  Positive charged surface: 269.248  Negative charged surface: 106.418  Volume: 157.625
  Hydrophobic surface: 310.863  Hydrophilic surface: 64.803
 
 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.