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PUBCHEM-ZINC06229072

 MMsINC code: MMs03624116
Type: Neutral
Formula: C2H9O2PS2+2
SMILES:   [SH2+][P+](S)(OC)OC
InChI:   InChI=1/C2H9O2PS2/c1-3-5(6,7)4-2/h6H,7H2,1-2H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.53101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.198 g/mol  logS: -1.82314  SlogP: 0.8981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15011  Sterimol/B1: 2.41975  Sterimol/B2: 3.78611  Sterimol/B3: 4.04178
  Sterimol/B4: 4.08801  Sterimol/L: 9.59469 
 
 Surface and Volume Properties
  Accessible surface: 322.474  Positive charged surface: 215.702  Negative charged surface: 106.771  Volume: 132
  Hydrophobic surface: 222.859  Hydrophilic surface: 99.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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.