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ENAMINE-ZINC02143634

 MMsINC code: MMs01248165
Type: Tautomer
Formula: C11H10F3NO3
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)

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Potential Energy
Epot(MMFF94)=82.5736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.199 g/mol  logS: -2.50385  SlogP: 2.3484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109314  Sterimol/B1: 2.91476  Sterimol/B2: 3.4919  Sterimol/B3: 3.60202
  Sterimol/B4: 6.23505  Sterimol/L: 11.801 
 
 Surface and Volume Properties
  Accessible surface: 414.95  Positive charged surface: 189.53  Negative charged surface: 225.42  Volume: 208.75
  Hydrophobic surface: 195.792  Hydrophilic surface: 219.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Parent related molecule:


MMs01248164
ENAMINE-ZINC02143634