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IBS-ZINC04897657

 MMsINC code: MMs01905593
Type: Neutral
Formula: C16H16FO3P
SMILES:   P(OC)(=O)(\C=C\c1ccccc1)C(O)c1ccc(F)cc1
InChI:   InChI=1/C16H16FO3P/c1-20-21(19,12-11-13-5-3-2-4-6-13)16(18)14-7-9-15(17)10-8-14/h2-12,16,18H,1H3/b12-11+/t16-,21+/m1/s1

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Potential Energy
Epot(MMFF94)=93.4055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.273 g/mol  logS: -3.13836  SlogP: 3.4373  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0624554  Sterimol/B1: 2.4631  Sterimol/B2: 2.64905  Sterimol/B3: 4.83529
  Sterimol/B4: 6.57541  Sterimol/L: 17.1877 
 
 Surface and Volume Properties
  Accessible surface: 528.472  Positive charged surface: 293.686  Negative charged surface: 234.786  Volume: 284.75
  Hydrophobic surface: 460.656  Hydrophilic surface: 67.816
 
 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.