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ACROSORGANICS-ZINC01641187

 MMsINC code: MMs00010100
Type: Neutral
Formula: C4H10OS
SMILES:   S(CCCO)C
InChI:   InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.7954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.189 g/mol  logS: -0.58165  SlogP: 0.7318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0663743  Sterimol/B1: 2.37477  Sterimol/B2: 2.37572  Sterimol/B3: 2.40607
  Sterimol/B4: 3.27334  Sterimol/L: 11.0456 
 
 Surface and Volume Properties
  Accessible surface: 292.43  Positive charged surface: 203.508  Negative charged surface: 88.9226  Volume: 112
  Hydrophobic surface: 201.719  Hydrophilic surface: 90.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.