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PUBCHEM-ZINC00375658

 MMsINC code: MMs02667019
Type: Neutral
Formula: C9H19NO2S
SMILES:   S(=O)(=O)(NC1CCCCCC1)CC
InChI:   InChI=1/C9H19NO2S/c1-2-13(11,12)10-9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.87425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.322 g/mol  logS: -1.71257  SlogP: 1.6485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106342  Sterimol/B1: 3  Sterimol/B2: 3.257  Sterimol/B3: 3.35857
  Sterimol/B4: 4.79104  Sterimol/L: 12.2404 
 
 Surface and Volume Properties
  Accessible surface: 398.748  Positive charged surface: 269.28  Negative charged surface: 129.468  Volume: 197.875
  Hydrophobic surface: 293.573  Hydrophilic surface: 105.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.