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NCID-ZINC01732383

 MMsINC code: MMs02355149
Type: Neutral
Formula: C9H21NO2S
SMILES:   S(=O)(=O)(N(CCC)CCC)CCC
InChI:   InChI=1/C9H21NO2S/c1-4-7-10(8-5-2)13(11,12)9-6-3/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.60924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.338 g/mol  logS: -1.06152  SlogP: 1.8482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129969  Sterimol/B1: 2.09341  Sterimol/B2: 2.85777  Sterimol/B3: 4.26828
  Sterimol/B4: 8.21001  Sterimol/L: 12.7743 
 
 Surface and Volume Properties
  Accessible surface: 442.467  Positive charged surface: 307.079  Negative charged surface: 135.388  Volume: 214.75
  Hydrophobic surface: 322.364  Hydrophilic surface: 120.103
 
 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.