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ACROSORGANICS-ZINC02382899

 MMsINC code: MMs00013454
Type: Neutral
Formula: C7H8O2S
SMILES:   S(C(=O)C)c1ccoc1C
InChI:   InChI=1/C7H8O2S/c1-5-7(3-4-9-5)10-6(2)8/h3-4H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.4686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.205 g/mol  logS: -2.71299  SlogP: 2.22662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792242  Sterimol/B1: 2.21178  Sterimol/B2: 3.13242  Sterimol/B3: 3.29854
  Sterimol/B4: 6.10858  Sterimol/L: 10.4115 
 
 Surface and Volume Properties
  Accessible surface: 337.665  Positive charged surface: 163.922  Negative charged surface: 173.744  Volume: 145.375
  Hydrophobic surface: 297.618  Hydrophilic surface: 40.047
 
 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.