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PUBCHEM-ZINC05859634

 MMsINC code: MMs03421517
Type: Neutral
Formula: C6H16O6P2S
SMILES:   S=P(OC)(OC)OP(OCC)(OCC)=O
InChI:   InChI=1/C6H16O6P2S/c1-5-10-13(7,11-6-2)12-14(15,8-3)9-4/h5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-32.3943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.202 g/mol  logS: -1.9064  SlogP: 1.6312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0979418  Sterimol/B1: 2.53244  Sterimol/B2: 3.17059  Sterimol/B3: 4.3328
  Sterimol/B4: 7.22888  Sterimol/L: 13.2419 
 
 Surface and Volume Properties
  Accessible surface: 488.194  Positive charged surface: 334.378  Negative charged surface: 153.816  Volume: 227.75
  Hydrophobic surface: 329.476  Hydrophilic surface: 158.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.