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PUBCHEM-ZINC06069803

 MMsINC code: MMs03522687
Type: Neutral
Formula: C20H32O6P2
SMILES:   P1(OCC(CO1)(C)C)(=O)Cc1cc(C)c(cc1C)CP1(OCC(CO1)(C)C)=O
InChI:   InChI=1/C20H32O6P2/c1-15-7-18(10-28(22)25-13-20(5,6)14-26-28)16(2)8-17(15)9-27(21)23-11-19(3,4)12-24-27/h7-8H,9-14H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.418 g/mol  logS: -3.82982  SlogP: 4.22804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0500206  Sterimol/B1: 2.27239  Sterimol/B2: 3.28253  Sterimol/B3: 4.00153
  Sterimol/B4: 7.73873  Sterimol/L: 19.6706 
 
 Surface and Volume Properties
  Accessible surface: 677.398  Positive charged surface: 450.975  Negative charged surface: 226.424  Volume: 400.875
  Hydrophobic surface: 532.675  Hydrophilic surface: 144.723
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.