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PUBCHEM-ZINC03130294

 MMsINC code: MMs02998391
Type: Neutral
Formula: C10H24O7P2
SMILES:   P(OCC)(OCC)(=O)C(P(OCC)(OCC)=O)OC
InChI:   InChI=1/C10H24O7P2/c1-6-14-18(11,15-7-2)10(13-5)19(12,16-8-3)17-9-4/h10H,6-9H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.7842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.243 g/mol  logS: -0.52019  SlogP: 1.3082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227486  Sterimol/B1: 2.14285  Sterimol/B2: 3.65163  Sterimol/B3: 6.01346
  Sterimol/B4: 8.21605  Sterimol/L: 14.944 
 
 Surface and Volume Properties
  Accessible surface: 571.59  Positive charged surface: 427.761  Negative charged surface: 143.83  Volume: 284.625
  Hydrophobic surface: 422.98  Hydrophilic surface: 148.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.