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NCID-ZINC01732381

 MMsINC code: MMs02355148
Type: Neutral
Formula: C8H17NO2S
SMILES:   S(=O)(=O)(N1CCC(CC1)C)CC
InChI:   InChI=1/C8H17NO2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h8H,3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.190494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.295 g/mol  logS: -1.07116  SlogP: 1.068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21571  Sterimol/B1: 2.56508  Sterimol/B2: 3.27071  Sterimol/B3: 4.0345
  Sterimol/B4: 4.6937  Sterimol/L: 11.3502 
 
 Surface and Volume Properties
  Accessible surface: 379.741  Positive charged surface: 266.248  Negative charged surface: 113.493  Volume: 185
  Hydrophobic surface: 278.604  Hydrophilic surface: 101.137
 
 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.