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PUBCHEM-ZINC01845868

 MMsINC code: MMs02823911
Type: Neutral
Formula: C8H20O6P2S
SMILES:   S=P(OCC)(OCC)OP(OCC)(OCC)=O
InChI:   InChI=1/C8H20O6P2S/c1-5-10-15(9,11-6-2)14-16(17,12-7-3)13-8-4/h5-8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-38.86 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.256 g/mol  logS: -2.56082  SlogP: 2.4114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157153  Sterimol/B1: 2.55852  Sterimol/B2: 2.92144  Sterimol/B3: 6.28001
  Sterimol/B4: 7.68862  Sterimol/L: 14.3574 
 
 Surface and Volume Properties
  Accessible surface: 543.97  Positive charged surface: 353.665  Negative charged surface: 190.305  Volume: 266.875
  Hydrophobic surface: 348.952  Hydrophilic surface: 195.018
 
 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.