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PUBCHEM-ZINC03872817

 MMsINC code: MMs03081506
Type: Neutral
Formula: C20H23O10P
SMILES:   P(OCOC(=O)C)(OCOC(=O)C)(=O)C(OCOC(=O)C)c1cc2c(cc1)cccc2
InChI:   InChI=1/C20H23O10P/c1-14(21)25-11-28-20(19-9-8-17-6-4-5-7-18(17)10-19)31(24,29-12-26-15(2)22)30-13-27-16(3)23/h4-10,20H,11-13H2,1-3H3/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=59.3569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.368 g/mol  logS: -3.64362  SlogP: 2.6684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177558  Sterimol/B1: 2.0646  Sterimol/B2: 2.97634  Sterimol/B3: 6.08262
  Sterimol/B4: 12.4821  Sterimol/L: 17.6867 
 
 Surface and Volume Properties
  Accessible surface: 727.94  Positive charged surface: 426.176  Negative charged surface: 292.871  Volume: 397.75
  Hydrophobic surface: 553.681  Hydrophilic surface: 174.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.