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IBS-ZINC00520087

 MMsINC code: MMs01744500
Type: Neutral
Formula: C16H17O3P
SMILES:   P(OCC)(=O)(CC(=O)c1ccccc1)c1ccccc1
InChI:   InChI=1/C16H17O3P/c1-2-19-20(18,15-11-7-4-8-12-15)13-16(17)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/t20-/m0/s1

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Potential Energy
Epot(MMFF94)=53.4819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.283 g/mol  logS: -3.60714  SlogP: 2.4392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0934916  Sterimol/B1: 2.22029  Sterimol/B2: 3.03249  Sterimol/B3: 4.59327
  Sterimol/B4: 8.71911  Sterimol/L: 15.1663 
 
 Surface and Volume Properties
  Accessible surface: 535.778  Positive charged surface: 307.196  Negative charged surface: 228.582  Volume: 280.5
  Hydrophobic surface: 471.833  Hydrophilic surface: 63.945
 
 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.