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PUBCHEM-ZINC05861640

 MMsINC code: MMs03422155
Type: Neutral
Formula: C11H15O3P
SMILES:   P(OCC)(=O)(CCC=O)c1ccccc1
InChI:   InChI=1/C11H15O3P/c1-2-14-15(13,10-6-9-12)11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=23.4742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.212 g/mol  logS: -1.42236  SlogP: 1.1453  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.165964  Sterimol/B1: 2.37225  Sterimol/B2: 3.41473  Sterimol/B3: 3.95044
  Sterimol/B4: 8.22311  Sterimol/L: 12.8536 
 
 Surface and Volume Properties
  Accessible surface: 462.034  Positive charged surface: 283.2  Negative charged surface: 178.834  Volume: 218.5
  Hydrophobic surface: 347.449  Hydrophilic surface: 114.585
 
 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.