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PUBCHEM-ZINC06068386

 MMsINC code: MMs03521286
Type: Neutral
Formula: C13H12FO2P
SMILES:   P(Oc1ccc(F)cc1)(=O)(C)c1ccccc1
InChI:   InChI=1/C13H12FO2P/c1-17(15,13-5-3-2-4-6-13)16-12-9-7-11(14)8-10-12/h2-10H,1H3/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=49.2275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.209 g/mol  logS: -3.17774  SlogP: 2.3677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110939  Sterimol/B1: 2.31024  Sterimol/B2: 2.39587  Sterimol/B3: 5.23044
  Sterimol/B4: 5.48176  Sterimol/L: 14.7603 
 
 Surface and Volume Properties
  Accessible surface: 452.013  Positive charged surface: 225.399  Negative charged surface: 226.614  Volume: 229.25
  Hydrophobic surface: 407.316  Hydrophilic surface: 44.697
 
 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.