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PUBCHEM-ZINC05420159

 MMsINC code: MMs03263657
Type: Neutral
Formula: C8H19NS
SMILES:   SCCNCCCCCC
InChI:   InChI=1/C8H19NS/c1-2-3-4-5-6-9-7-8-10/h9-10H,2-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.10439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.313 g/mol  logS: -2.42058  SlogP: 2.0861  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0330704  Sterimol/B1: 2.27865  Sterimol/B2: 2.48238  Sterimol/B3: 2.50209
  Sterimol/B4: 3.09926  Sterimol/L: 16.0604 
 
 Surface and Volume Properties
  Accessible surface: 426.526  Positive charged surface: 327.598  Negative charged surface: 98.9286  Volume: 189.375
  Hydrophobic surface: 329.145  Hydrophilic surface: 97.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.