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NCID-ZINC01732380

 MMsINC code: MMs02355147
Type: Neutral
Formula: C7H15NO2S
SMILES:   S(=O)(=O)(N1CCCC1)CCC
InChI:   InChI=1/C7H15NO2S/c1-2-7-11(9,10)8-5-3-4-6-8/h2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.48776 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.268 g/mol  logS: -0.55594  SlogP: 0.822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139706  Sterimol/B1: 2.48338  Sterimol/B2: 2.92712  Sterimol/B3: 4.21078
  Sterimol/B4: 4.85608  Sterimol/L: 11.9495 
 
 Surface and Volume Properties
  Accessible surface: 373.651  Positive charged surface: 264.151  Negative charged surface: 109.501  Volume: 171.25
  Hydrophobic surface: 291.443  Hydrophilic surface: 82.208
 
 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.