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NCID-ZINC01732385

 MMsINC code: MMs02355151
Type: Neutral
Formula: C10H23NO2S
SMILES:   S(=O)(=O)(N(CCC)CCC)CCCC
InChI:   InChI=1/C10H23NO2S/c1-4-7-10-14(12,13)11(8-5-2)9-6-3/h4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.67683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.365 g/mol  logS: -1.57674  SlogP: 2.2383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09284  Sterimol/B1: 2.94522  Sterimol/B2: 4.18801  Sterimol/B3: 4.22213
  Sterimol/B4: 6.40422  Sterimol/L: 13.6598 
 
 Surface and Volume Properties
  Accessible surface: 471.003  Positive charged surface: 332.267  Negative charged surface: 138.736  Volume: 233.25
  Hydrophobic surface: 351.507  Hydrophilic surface: 119.496
 
 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.