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NCID-ZINC05064167

 MMsINC code: MMs02435601
Type: Neutral
Formula: C22H48O6P2
SMILES:   P(OC(C)C)(OC(C)C)(=O)CCCCCCCCCCP(OC(C)C)(OC(C)C)=O
InChI:   InChI=1/C22H48O6P2/c1-19(2)25-29(23,26-20(3)4)17-15-13-11-9-10-12-14-16-18-30(24,27-21(5)6)28-22(7)8/h19-22H,9-18H2,1-8H3

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Potential Energy
Epot(MMFF94)=8.31521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.568 g/mol  logS: -5.11786  SlogP: 6.053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421903  Sterimol/B1: 3.10456  Sterimol/B2: 3.79455  Sterimol/B3: 6.48793
  Sterimol/B4: 7.67833  Sterimol/L: 25.3697 
 
 Surface and Volume Properties
  Accessible surface: 918.095  Positive charged surface: 673.192  Negative charged surface: 244.904  Volume: 492.125
  Hydrophobic surface: 704.143  Hydrophilic surface: 213.952
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.