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ENAMINE-ZINC02143634

 MMsINC code: MMs01248164
Type: Neutral
Formula: C11H9F3NO3-
SMILES:   FC(F)(F)C(=O)N(Cc1ccccc1)CC(=O)[O-]
InChI:   InChI=1/C11H10F3NO3/c12-11(13,14)10(18)15(7-9(16)17)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17)/p-1

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Potential Energy
Epot(MMFF94)=74.6411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.191 g/mol  logS: -2.7643  SlogP: 1.0137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136856  Sterimol/B1: 3.06884  Sterimol/B2: 3.44114  Sterimol/B3: 3.61825
  Sterimol/B4: 5.97132  Sterimol/L: 11.3633 
 
 Surface and Volume Properties
  Accessible surface: 414.91  Positive charged surface: 159.143  Negative charged surface: 255.766  Volume: 208.75
  Hydrophobic surface: 209.102  Hydrophilic surface: 205.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01248165
ENAMINE-ZINC02143634