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NCID-ZINC05217434

 MMsINC code: MMs02449820
Type: Neutral
Formula: C10H21NO2S
SMILES:   S(=O)(=O)(N1CCC(CC1)C)CCCC
InChI:   InChI=1/C10H21NO2S/c1-3-4-9-14(12,13)11-7-5-10(2)6-8-11/h10H,3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.0605229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 219.349 g/mol  logS: -1.78815  SlogP: 1.8482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121015  Sterimol/B1: 3.20575  Sterimol/B2: 3.62385  Sterimol/B3: 3.6261
  Sterimol/B4: 4.96983  Sterimol/L: 13.3262 
 
 Surface and Volume Properties
  Accessible surface: 441.048  Positive charged surface: 321.121  Negative charged surface: 119.927  Volume: 223.25
  Hydrophobic surface: 340.82  Hydrophilic surface: 100.228
 
 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.