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NCID-ZINC01733419

 MMsINC code: MMs02355904
Type: Neutral
Formula: C8H19NO2S
SMILES:   S(=O)(=O)(N(CC)CC)CCCC
InChI:   InChI=1/C8H19NO2S/c1-4-7-8-12(10,11)9(5-2)6-3/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.31053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.311 g/mol  logS: -1.1732  SlogP: 1.4581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0963199  Sterimol/B1: 3.02406  Sterimol/B2: 3.60644  Sterimol/B3: 4.01343
  Sterimol/B4: 5.02209  Sterimol/L: 12.7827 
 
 Surface and Volume Properties
  Accessible surface: 409.322  Positive charged surface: 284.062  Negative charged surface: 125.26  Volume: 197
  Hydrophobic surface: 293.031  Hydrophilic surface: 116.291
 
 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.