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NCID-ZINC05217433

 MMsINC code: MMs02449819
Type: Neutral
Formula: C9H19NO2S
SMILES:   S(=O)(=O)(N1CCC(CC1)C)CCC
InChI:   InChI=1/C9H19NO2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h9H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.119195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.322 g/mol  logS: -1.27293  SlogP: 1.4581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168513  Sterimol/B1: 2.46631  Sterimol/B2: 3.62236  Sterimol/B3: 3.62732
  Sterimol/B4: 5.40118  Sterimol/L: 12.4189 
 
 Surface and Volume Properties
  Accessible surface: 410.804  Positive charged surface: 293.571  Negative charged surface: 117.233  Volume: 202.75
  Hydrophobic surface: 310.75  Hydrophilic surface: 100.054
 
 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.