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ENAMINE-ZINC03176985

 MMsINC code: MMs01296134
Type: Neutral
Formula: C15H14F3O3P
SMILES:   P(Oc1ccccc1)(OC(C(F)(F)F)c1ccccc1)(=O)C
InChI:   InChI=1/C15H14F3O3P/c1-22(19,20-13-10-6-3-7-11-13)21-14(15(16,17)18)12-8-4-2-5-9-12/h2-11,14H,1H3/t14-,22+/m0/s1

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Potential Energy
Epot(MMFF94)=68.4613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.242 g/mol  logS: -4.16435  SlogP: 4.6537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230725  Sterimol/B1: 2.05928  Sterimol/B2: 3.24587  Sterimol/B3: 4.27021
  Sterimol/B4: 9.64974  Sterimol/L: 11.5035 
 
 Surface and Volume Properties
  Accessible surface: 508.371  Positive charged surface: 245.172  Negative charged surface: 263.198  Volume: 279.375
  Hydrophobic surface: 372.41  Hydrophilic surface: 135.961
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.