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ENAMINE-ZINC03176997

 MMsINC code: MMs01296141
Type: Neutral
Formula: C16H14F5O3P
SMILES:   P(Oc1ccccc1)(OC(C(F)(F)C(F)(F)F)c1ccccc1)(=O)C
InChI:   InChI=1/C16H14F5O3P/c1-25(22,23-13-10-6-3-7-11-13)24-14(12-8-4-2-5-9-12)15(17,18)16(19,20)21/h2-11,14H,1H3/t14-,25+/m1/s1

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Potential Energy
Epot(MMFF94)=140.915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.249 g/mol  logS: -4.86769  SlogP: 5.7089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.412234  Sterimol/B1: 2.2817  Sterimol/B2: 3.17498  Sterimol/B3: 7.1237
  Sterimol/B4: 7.46725  Sterimol/L: 11.8789 
 
 Surface and Volume Properties
  Accessible surface: 501.464  Positive charged surface: 214.673  Negative charged surface: 286.79  Volume: 295.25
  Hydrophobic surface: 331.947  Hydrophilic surface: 169.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.