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ACROSORGANICS-ZINC01678123

 MMsINC code: MMs00010672
Type: Neutral
Formula: C6H14O2S
SMILES:   S(CCCO)CCCO
InChI:   InChI=1/C6H14O2S/c7-3-1-5-9-6-2-4-8/h7-8H,1-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.21613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.242 g/mol  logS: -0.58088  SlogP: 0.4844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351496  Sterimol/B1: 2.37535  Sterimol/B2: 2.37541  Sterimol/B3: 2.50243
  Sterimol/B4: 3.06607  Sterimol/L: 14.4695 
 
 Surface and Volume Properties
  Accessible surface: 374.251  Positive charged surface: 291.914  Negative charged surface: 82.3368  Volume: 153.375
  Hydrophobic surface: 235.727  Hydrophilic surface: 138.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.