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ALFAAESAR-ZINC01690290

 MMsINC code: MMs00021880
Type: Neutral
Formula: C4H10O3S
SMILES:   S(=O)(=O)(CCO)CC
InChI:   InChI=1/C4H10O3S/c1-2-8(6,7)4-3-5/h5H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.0985283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.187 g/mol  logS: 0.17362  SlogP: -0.5866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0894181  Sterimol/B1: 2.88305  Sterimol/B2: 2.93013  Sterimol/B3: 3.03561
  Sterimol/B4: 3.03656  Sterimol/L: 11.0304 
 
 Surface and Volume Properties
  Accessible surface: 309.289  Positive charged surface: 197.653  Negative charged surface: 111.636  Volume: 121
  Hydrophobic surface: 173.918  Hydrophilic surface: 135.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.