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ENAMINE-ZINC06312271

 MMsINC code: MMs01660841
Type: Neutral
Formula: C14H13F3N4O3
SMILES:   FC(F)(F)c1nn(cc1)CC(=O)N\N=C(\C)/c1ccc(O)cc1O
InChI:   InChI=1/C14H13F3N4O3/c1-8(10-3-2-9(22)6-11(10)23)18-19-13(24)7-21-5-4-12(20-21)14(15,16)17/h2-6,22-23H,7H2,1H3,(H,19,24)/b18-8+

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Potential Energy
Epot(MMFF94)=120.601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.277 g/mol  logS: -2.68637  SlogP: 2.4314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263348  Sterimol/B1: 2.00179  Sterimol/B2: 2.84444  Sterimol/B3: 3.62149
  Sterimol/B4: 7.04844  Sterimol/L: 16.8875 
 
 Surface and Volume Properties
  Accessible surface: 564.571  Positive charged surface: 287.495  Negative charged surface: 277.075  Volume: 278.625
  Hydrophobic surface: 286.383  Hydrophilic surface: 278.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.