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PUBCHEM-ZINC03121530

 MMsINC code: MMs02996425
Type: Neutral
Formula: C13H13O4P
SMILES:   P(Oc1cc(ccc1)C)(Oc1ccccc1)(O)=O
InChI:   InChI=1/C13H13O4P/c1-11-6-5-9-13(10-11)17-18(14,15)16-12-7-3-2-4-8-12/h2-10H,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=23.7868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.217 g/mol  logS: -3.39884  SlogP: 2.48302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0377657  Sterimol/B1: 2.30999  Sterimol/B2: 2.51655  Sterimol/B3: 3.54018
  Sterimol/B4: 6.07705  Sterimol/L: 14.4406 
 
 Surface and Volume Properties
  Accessible surface: 480.363  Positive charged surface: 253.799  Negative charged surface: 226.564  Volume: 238.375
  Hydrophobic surface: 402.322  Hydrophilic surface: 78.041
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.