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NCID-ZINC05064163

 MMsINC code: MMs02435599
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+

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Potential Energy
Epot(MMFF94)=59.5911 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: 0.0229912  Sterimol/B1: 2.16408  Sterimol/B2: 3.03067  Sterimol/B3: 4.75946
  Sterimol/B4: 9.60752  Sterimol/L: 26.0405 
 
 Surface and Volume Properties
  Accessible surface: 917.906  Positive charged surface: 616.358  Negative charged surface: 301.548  Volume: 530.25
  Hydrophobic surface: 796.536  Hydrophilic surface: 121.37
 
 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.