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PUBCHEM-ZINC03086388

 MMsINC code: MMs02991835
Type: Neutral
Formula: C7H9O3P
SMILES:   P(O)(O)(=O)c1cc(ccc1)C
InChI:   InChI=1/C7H9O3P/c1-6-3-2-4-7(5-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=-24.2863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.12 g/mol  logS: -1.2188  SlogP: -0.27218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569734  Sterimol/B1: 2.42917  Sterimol/B2: 2.58736  Sterimol/B3: 3.4925
  Sterimol/B4: 5.71411  Sterimol/L: 10.3461 
 
 Surface and Volume Properties
  Accessible surface: 348.209  Positive charged surface: 175.411  Negative charged surface: 172.798  Volume: 150.875
  Hydrophobic surface: 213.841  Hydrophilic surface: 134.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.