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NCID-ZINC01732377

 MMsINC code: MMs02355145
Type: Neutral
Formula: C9H21NO2S
SMILES:   S(=O)(=O)(N(CC)CC)CCCCC
InChI:   InChI=1/C9H21NO2S/c1-4-7-8-9-13(11,12)10(5-2)6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.35783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.338 g/mol  logS: -1.68842  SlogP: 1.8482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784857  Sterimol/B1: 2.59021  Sterimol/B2: 3.99879  Sterimol/B3: 4.55434
  Sterimol/B4: 4.65478  Sterimol/L: 14.132 
 
 Surface and Volume Properties
  Accessible surface: 443.403  Positive charged surface: 311.242  Negative charged surface: 132.161  Volume: 214.75
  Hydrophobic surface: 324.47  Hydrophilic surface: 118.933
 
 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.