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PUBCHEM-ZINC05647610

 MMsINC code: MMs03334418
Type: Neutral
Formula: C9H19NO2S
SMILES:   S(=O)(CC)C(=O)N(CCC)CCC
InChI:   InChI=1/C9H19NO2S/c1-4-7-10(8-5-2)9(11)13(12)6-3/h4-8H2,1-3H3/t13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.0766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.322 g/mol  logS: -1.3589  SlogP: 1.997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150807  Sterimol/B1: 2.57878  Sterimol/B2: 3.23302  Sterimol/B3: 4.41261
  Sterimol/B4: 6.35811  Sterimol/L: 11.8672 
 
 Surface and Volume Properties
  Accessible surface: 431.024  Positive charged surface: 295.397  Negative charged surface: 135.628  Volume: 209.875
  Hydrophobic surface: 289.065  Hydrophilic surface: 141.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.