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NCID-ZINC01640027

 MMsINC code: MMs02282146
Type: Neutral
Formula: C7H16S
SMILES:   S(CCCC)CCC
InChI:   InChI=1/C7H16S/c1-3-5-7-8-6-4-2/h3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.78242 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.271 g/mol  logS: -2.1556  SlogP: 2.9297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398267  Sterimol/B1: 2.37535  Sterimol/B2: 2.37542  Sterimol/B3: 2.8527
  Sterimol/B4: 2.87018  Sterimol/L: 13.8467 
 
 Surface and Volume Properties
  Accessible surface: 374.052  Positive charged surface: 281.492  Negative charged surface: 92.5595  Volume: 157.125
  Hydrophobic surface: 295.578  Hydrophilic surface: 78.474
 
 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.