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PUBCHEM-ZINC02003986

 MMsINC code: MMs02845100
Type: Neutral
Formula: C6H16O7P2
SMILES:   P(OCC)(OCC)(OP(OC)(OC)=O)=O
InChI:   InChI=1/C6H16O7P2/c1-5-11-15(8,12-6-2)13-14(7,9-3)10-4/h5-6H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-42.2601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.135 g/mol  logS: -0.65312  SlogP: 0.4446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0916469  Sterimol/B1: 2.41012  Sterimol/B2: 2.50273  Sterimol/B3: 4.72851
  Sterimol/B4: 7.40742  Sterimol/L: 13.1883 
 
 Surface and Volume Properties
  Accessible surface: 468.15  Positive charged surface: 324.979  Negative charged surface: 143.171  Volume: 216.75
  Hydrophobic surface: 318.752  Hydrophilic surface: 149.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.