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NCID-ZINC01694153

 MMsINC code: MMs02325452
Type: Neutral
Formula: C30H24O6P2
SMILES:   P(Oc1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1)(Oc1ccccc1)Oc1ccccc1
InChI:   InChI=1/C30H24O6P2/c1-5-13-25(14-6-1)31-37(32-26-15-7-2-8-16-26)35-29-21-23-30(24-22-29)36-38(33-27-17-9-3-10-18-27)34-28-19-11-4-12-20-28/h1-24H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 542.464 g/mol  logS: -8.85844  SlogP: 9.214  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0442686  Sterimol/B1: 2.4626  Sterimol/B2: 2.66266  Sterimol/B3: 4.29136
  Sterimol/B4: 11.5645  Sterimol/L: 18.8421 
 
 Surface and Volume Properties
  Accessible surface: 862.468  Positive charged surface: 470.842  Negative charged surface: 391.626  Volume: 500.5
  Hydrophobic surface: 851.086  Hydrophilic surface: 11.382
 
 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: 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.