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ENAMINE-ZINC03181207

 MMsINC code: MMs01297693
Type: Neutral
Formula: C9H19NO3S
SMILES:   S(O)(=O)(=O)CCCN1CCCCCC1
InChI:   InChI=1/C9H19NO3S/c11-14(12,13)9-5-8-10-6-3-1-2-4-7-10/h1-9H2,(H,11,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.2266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.321 g/mol  logS: -0.66667  SlogP: 0.5746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933157  Sterimol/B1: 2.93299  Sterimol/B2: 3.01294  Sterimol/B3: 3.91754
  Sterimol/B4: 4.89167  Sterimol/L: 13.718 
 
 Surface and Volume Properties
  Accessible surface: 430.169  Positive charged surface: 299.817  Negative charged surface: 130.352  Volume: 205.75
  Hydrophobic surface: 305.362  Hydrophilic surface: 124.807
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.