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ACROSORGANICS-ZINC01545122

 MMsINC code: MMs00009118
Type: Neutral
Formula: C8H18OS
SMILES:   S(=O)(CCCC)CCCC
InChI:   InChI=1/C8H18OS/c1-3-5-7-10(9)8-6-4-2/h3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.32576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.297 g/mol  logS: -1.93959  SlogP: 2.3353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354373  Sterimol/B1: 2.52144  Sterimol/B2: 2.66608  Sterimol/B3: 3.08412
  Sterimol/B4: 3.19638  Sterimol/L: 15.0987 
 
 Surface and Volume Properties
  Accessible surface: 411.138  Positive charged surface: 314.38  Negative charged surface: 96.7587  Volume: 181.75
  Hydrophobic surface: 335.19  Hydrophilic surface: 75.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.