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ACROSORGANICS-ZINC01729388

 MMsINC code: MMs00011697
Type: Neutral
Formula: C7H15O5P
SMILES:   P(OCC)(OCC)(=O)CC(OC)=O
InChI:   InChI=1/C7H15O5P/c1-4-11-13(9,12-5-2)6-7(8)10-3/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.23593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.166 g/mol  logS: -0.67397  SlogP: 0.3553  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0902558  Sterimol/B1: 2.15044  Sterimol/B2: 3.21765  Sterimol/B3: 3.57115
  Sterimol/B4: 7.79695  Sterimol/L: 12.9215 
 
 Surface and Volume Properties
  Accessible surface: 441.962  Positive charged surface: 320.603  Negative charged surface: 121.359  Volume: 191
  Hydrophobic surface: 319.689  Hydrophilic surface: 122.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.