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PUBCHEM-ZINC06404006

 MMsINC code: MMs03708595
Type: Neutral
Formula: C9H22O4P2S2
SMILES:   S=P(OCC)(OCC)CP(=S)(OCC)OCC
InChI:   InChI=1/C9H22O4P2S2/c1-5-10-14(16,11-6-2)9-15(17,12-7-3)13-8-4/h5-9H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.0313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.351 g/mol  logS: -3.15312  SlogP: 3.7089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158578  Sterimol/B1: 2.14186  Sterimol/B2: 3.54922  Sterimol/B3: 5.36944
  Sterimol/B4: 7.12185  Sterimol/L: 13.0415 
 
 Surface and Volume Properties
  Accessible surface: 499.79  Positive charged surface: 292.416  Negative charged surface: 207.374  Volume: 283.125
  Hydrophobic surface: 293.323  Hydrophilic surface: 206.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.