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AURORAFEINCHEMIE-ZINC03957820

 MMsINC code: MMs00459161
Type: Neutral
Formula: C2H7O2PS2
SMILES:   SP(=S)(OC)OC
InChI:   InChI=1/C2H7O2PS2/c1-3-5(6,7)4-2/h1-2H3,(H,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.341831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.182 g/mol  logS: -1.96504  SlogP: 1.4335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106114  Sterimol/B1: 2.3129  Sterimol/B2: 3.53971  Sterimol/B3: 4.16248
  Sterimol/B4: 4.16454  Sterimol/L: 9.654 
 
 Surface and Volume Properties
  Accessible surface: 309.816  Positive charged surface: 187.695  Negative charged surface: 122.121  Volume: 125.5
  Hydrophobic surface: 186.042  Hydrophilic surface: 123.774
 
 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.