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ACROSORGANICS-ZINC01036885

 MMsINC code: MMs00008423
Type: Neutral
Formula: C5H3F3N2O2
SMILES:   FC(F)(F)C1=CNC(=O)NC1=O
InChI:   InChI=1/C5H3F3N2O2/c6-5(7,8)2-1-9-4(12)10-3(2)11/h1H,(H2,9,10,11,12)

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Potential Energy
Epot(MMFF94)=-23.4085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.085 g/mol  logS: -1.50563  SlogP: 0.6919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496391  Sterimol/B1: 2.25233  Sterimol/B2: 2.4226  Sterimol/B3: 2.80971
  Sterimol/B4: 5.19654  Sterimol/L: 9.16104 
 
 Surface and Volume Properties
  Accessible surface: 290.032  Positive charged surface: 102.764  Negative charged surface: 187.268  Volume: 117.875
  Hydrophobic surface: 39.8773  Hydrophilic surface: 250.1547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.