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CHEMBRIDGE-ZINC00314834

 MMsINC code: MMs00607262
Type: Neutral
Formula: C15H16FO3P
SMILES:   P(OCC)(=O)(C(O)c1ccc(F)cc1)c1ccccc1
InChI:   InChI=1/C15H16FO3P/c1-2-19-20(18,14-6-4-3-5-7-14)15(17)12-8-10-13(16)11-9-12/h3-11,15,17H,2H2,1H3/t15-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=72.5712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.262 g/mol  logS: -3.24896  SlogP: 2.482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13294  Sterimol/B1: 2.2753  Sterimol/B2: 3.08921  Sterimol/B3: 4.38861
  Sterimol/B4: 7.77443  Sterimol/L: 14.9415 
 
 Surface and Volume Properties
  Accessible surface: 509.837  Positive charged surface: 283.919  Negative charged surface: 225.918  Volume: 272.25
  Hydrophobic surface: 435.247  Hydrophilic surface: 74.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.