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ENAMINE-ZINC03433491

 MMsINC code: MMs01438975
Type: Neutral
Formula: C12H10F3NO3
SMILES:   FC(F)(F)c1cc(ccc1)\C=C\C(OCC(=O)N)=O
InChI:   InChI=1/C12H10F3NO3/c13-12(14,15)9-3-1-2-8(6-9)4-5-11(18)19-7-10(16)17/h1-6H,7H2,(H2,16,17)/b5-4+

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Potential Energy
Epot(MMFF94)=55.945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.21 g/mol  logS: -3.60754  SlogP: 2.0586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00801581  Sterimol/B1: 2.37379  Sterimol/B2: 2.56147  Sterimol/B3: 2.81533
  Sterimol/B4: 5.70884  Sterimol/L: 16.7274 
 
 Surface and Volume Properties
  Accessible surface: 478.765  Positive charged surface: 212.7  Negative charged surface: 266.065  Volume: 223.125
  Hydrophobic surface: 220.564  Hydrophilic surface: 258.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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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Ions/Tautomers related molecules: no related molecules available.