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PUBCHEM-ZINC05998054

 MMsINC code: MMs03482086
Type: Neutral
Formula: C5H13O3PS2
SMILES:   S(CCOP(=S)(OC)OC)C
InChI:   InChI=1/C5H13O3PS2/c1-6-9(10,7-2)8-4-5-11-3/h4-5H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.8389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.262 g/mol  logS: -2.1111  SlogP: 1.8833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466671  Sterimol/B1: 2.40517  Sterimol/B2: 2.49709  Sterimol/B3: 4.48671
  Sterimol/B4: 5.84957  Sterimol/L: 13.4861 
 
 Surface and Volume Properties
  Accessible surface: 422.798  Positive charged surface: 283.254  Negative charged surface: 139.544  Volume: 187.125
  Hydrophobic surface: 303.567  Hydrophilic surface: 119.231
 
 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.