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ASINEX-ZINC00235769

 MMsINC code: MMs00095675
Type: Neutral
Formula: C6H10O3S
SMILES:   S1(=O)(=O)CCC(=O)CCC1
InChI:   InChI=1/C6H10O3S/c7-6-2-1-4-10(8,9)5-3-6/h1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=29.4007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.209 g/mol  logS: -0.14751  SlogP: 0.1542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.345345  Sterimol/B1: 3.13292  Sterimol/B2: 3.5214  Sterimol/B3: 3.82564
  Sterimol/B4: 4.32432  Sterimol/L: 8.09651 
 
 Surface and Volume Properties
  Accessible surface: 305.948  Positive charged surface: 169.061  Negative charged surface: 136.887  Volume: 136.125
  Hydrophobic surface: 202.732  Hydrophilic surface: 103.216
 
 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.