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ACROSORGANICS-ZINC01687820

 MMsINC code: MMs00010969
Type: Neutral
Formula: C4H10OS
SMILES:   S(CCO)CC
InChI:   InChI=1/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.189 g/mol  logS: -0.70709  SlogP: 0.7318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0605288  Sterimol/B1: 2.37552  Sterimol/B2: 2.37566  Sterimol/B3: 2.5324
  Sterimol/B4: 2.91061  Sterimol/L: 11.052 
 
 Surface and Volume Properties
  Accessible surface: 297.464  Positive charged surface: 221.297  Negative charged surface: 76.1669  Volume: 112.5
  Hydrophobic surface: 188.916  Hydrophilic surface: 108.548
 
 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.