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PUBCHEM-ZINC05829715

 MMsINC code: MMs03404721
Type: Neutral
Formula: C11H15O4P
SMILES:   P(OC)(=O)(CC(OCC)=O)c1ccccc1
InChI:   InChI=1/C11H15O4P/c1-3-15-11(12)9-16(13,14-2)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=14.7675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.211 g/mol  logS: -1.91606  SlogP: 0.7293  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.152848  Sterimol/B1: 2.63963  Sterimol/B2: 3.70531  Sterimol/B3: 4.02657
  Sterimol/B4: 6.40395  Sterimol/L: 13.1151 
 
 Surface and Volume Properties
  Accessible surface: 458.425  Positive charged surface: 300.336  Negative charged surface: 158.089  Volume: 229.5
  Hydrophobic surface: 376.958  Hydrophilic surface: 81.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.