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PUBCHEM-ZINC02853489

 MMsINC code: MMs02939813
Type: Neutral
Formula: C12H14F3N3O3
SMILES:   FC(F)(F)c1ccccc1NC(=O)NNC(=O)CC(O)C
InChI:   InChI=1/C12H14F3N3O3/c1-7(19)6-10(20)17-18-11(21)16-9-5-3-2-4-8(9)12(13,14)15/h2-5,7,19H,6H2,1H3,(H,17,20)(H2,16,18,21)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=65.4851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.256 g/mol  logS: -2.77582  SlogP: 1.9405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233314  Sterimol/B1: 2.49818  Sterimol/B2: 3.29994  Sterimol/B3: 3.74834
  Sterimol/B4: 5.30806  Sterimol/L: 16.5253 
 
 Surface and Volume Properties
  Accessible surface: 513.245  Positive charged surface: 263.864  Negative charged surface: 249.381  Volume: 248.375
  Hydrophobic surface: 252.299  Hydrophilic surface: 260.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.