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APOLLO-ZINC01641071

 MMsINC code: MMs00049656
Type: Neutral
Formula: C11H15O4P
SMILES:   P(OCC)(OCC)(=O)C(=O)c1ccccc1
InChI:   InChI=1/C11H15O4P/c1-3-14-16(13,15-4-2)11(12)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.3535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.211 g/mol  logS: -2.42101  SlogP: 2.0227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664575  Sterimol/B1: 2.48217  Sterimol/B2: 3.28841  Sterimol/B3: 3.67917
  Sterimol/B4: 7.35667  Sterimol/L: 13.9803 
 
 Surface and Volume Properties
  Accessible surface: 471.918  Positive charged surface: 284.498  Negative charged surface: 187.42  Volume: 228
  Hydrophobic surface: 351.332  Hydrophilic surface: 120.586
 
 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.