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ACROSORGANICS-ZINC01648263

 MMsINC code: MMs00010209
Type: Neutral
Formula: C4H10O3S
SMILES:   S(OCC)(OCC)=O
InChI:   InChI=1/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.187 g/mol  logS: -1.01473  SlogP: 0.6381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0484147  Sterimol/B1: 2.31107  Sterimol/B2: 2.56786  Sterimol/B3: 2.76336
  Sterimol/B4: 3.86358  Sterimol/L: 12.0574 
 
 Surface and Volume Properties
  Accessible surface: 326.201  Positive charged surface: 231.441  Negative charged surface: 94.7597  Volume: 123
  Hydrophobic surface: 210.701  Hydrophilic surface: 115.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.