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NCID-ZINC05064162

 MMsINC code: MMs02435598
Type: Neutral
Formula: C28H44O4P2
SMILES:   P(OC(C)C)(=O)(CCCCCCCCCCP(OC(C)C)(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C28H44O4P2/c1-25(2)31-33(29,27-19-13-11-14-20-27)23-17-9-7-5-6-8-10-18-24-34(30,32-26(3)4)28-21-15-12-16-22-28/h11-16,19-22,25-26H,5-10,17-18,23-24H2,1-4H3/t33-,34-/m0/s1

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Potential Energy
Epot(MMFF94)=62.3719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 506.604 g/mol  logS: -6.94762  SlogP: 6.024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0488524  Sterimol/B1: 2.25918  Sterimol/B2: 3.40463  Sterimol/B3: 5.88709
  Sterimol/B4: 9.45095  Sterimol/L: 26.2553 
 
 Surface and Volume Properties
  Accessible surface: 936.16  Positive charged surface: 614.563  Negative charged surface: 321.597  Volume: 528.25
  Hydrophobic surface: 814.138  Hydrophilic surface: 122.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.