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ACROSORGANICS-ZINC03861659

 MMsINC code: MMs00016041
Type: Neutral
Formula: C6H14S
SMILES:   SCCCCCC
InChI:   InChI=1/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.904124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.244 g/mol  logS: -2.65364  SlogP: 2.4965  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0636715  Sterimol/B1: 2.3749  Sterimol/B2: 2.37574  Sterimol/B3: 2.79805
  Sterimol/B4: 2.92268  Sterimol/L: 12.4024 
 
 Surface and Volume Properties
  Accessible surface: 336.215  Positive charged surface: 241.785  Negative charged surface: 94.4303  Volume: 138.5
  Hydrophobic surface: 258.714  Hydrophilic surface: 77.501
 
 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.