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PUBCHEM-ZINC05431896

 MMsINC code: MMs03268226
Type: Neutral
Formula: C11H21NOS
SMILES:   S(CCC)C(=O)NC1CCCCCC1
InChI:   InChI=1/C11H21NOS/c1-2-9-14-11(13)12-10-7-5-3-4-6-8-10/h10H,2-9H2,1H3,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.34005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.361 g/mol  logS: -3.32629  SlogP: 3.562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561485  Sterimol/B1: 2.84838  Sterimol/B2: 3.35616  Sterimol/B3: 3.74498
  Sterimol/B4: 4.50368  Sterimol/L: 15.4822 
 
 Surface and Volume Properties
  Accessible surface: 460.935  Positive charged surface: 333.1  Negative charged surface: 127.836  Volume: 225
  Hydrophobic surface: 358.657  Hydrophilic surface: 102.278
 
 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.