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NCID-ZINC01765076

 MMsINC code: MMs02369319
Type: Neutral
Formula: C6H14O2S
SMILES:   S(OCCC)OCCC
InChI:   InChI=1/C6H14O2S/c1-3-5-7-9-8-6-4-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.0222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.242 g/mol  logS: -2.1495  SlogP: 2.4028  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0287661  Sterimol/B1: 2.37517  Sterimol/B2: 2.37521  Sterimol/B3: 2.8103
  Sterimol/B4: 2.81532  Sterimol/L: 14.4329 
 
 Surface and Volume Properties
  Accessible surface: 383.08  Positive charged surface: 304.509  Negative charged surface: 78.5705  Volume: 153.5
  Hydrophobic surface: 318.564  Hydrophilic surface: 64.516
 
 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.