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PUBCHEM-ZINC03159946

 MMsINC code: MMs03003162
Type: Neutral
Formula: C15H17O2P
SMILES:   P(OCC)(=O)(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C15H17O2P/c1-2-17-18(16,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=46.5699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.273 g/mol  logS: -3.27579  SlogP: 3.0229  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.266818  Sterimol/B1: 2.2912  Sterimol/B2: 2.78556  Sterimol/B3: 5.5056
  Sterimol/B4: 8.05568  Sterimol/L: 12.2491 
 
 Surface and Volume Properties
  Accessible surface: 474.504  Positive charged surface: 284.764  Negative charged surface: 189.74  Volume: 262.5
  Hydrophobic surface: 424.328  Hydrophilic surface: 50.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.