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NCID-ZINC01586790

 MMsINC code: MMs02242772
Type: Neutral
Formula: C6H10O3S
SMILES:   S(C(=O)C)CCC(OC)=O
InChI:   InChI=1/C6H10O3S/c1-5(7)10-4-3-6(8)9-2/h3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=5.79922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.209 g/mol  logS: -1.26718  SlogP: 0.8292  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0284095  Sterimol/B1: 2.3749  Sterimol/B2: 2.37568  Sterimol/B3: 3.10049
  Sterimol/B4: 3.24373  Sterimol/L: 13.4536 
 
 Surface and Volume Properties
  Accessible surface: 363.823  Positive charged surface: 241.587  Negative charged surface: 122.236  Volume: 149.625
  Hydrophobic surface: 250.655  Hydrophilic surface: 113.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.