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PUBCHEM-ZINC03872816

 MMsINC code: MMs03081505
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-/m1/s1

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Potential Energy
Epot(MMFF94)=63.063 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: 0.157647  Sterimol/B1: 2.36572  Sterimol/B2: 3.42323  Sterimol/B3: 6.37333
  Sterimol/B4: 8.73921  Sterimol/L: 16.8321 
 
 Surface and Volume Properties
  Accessible surface: 684.061  Positive charged surface: 416.828  Negative charged surface: 261.614  Volume: 394.875
  Hydrophobic surface: 519.118  Hydrophilic surface: 164.943
 
 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.