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ENAMINE-ZINC04218636

 MMsINC code: MMs01535627
Type: Neutral
Formula: C5H3F3N2O3
SMILES:   FC(F)(F)CN1C(=O)C(=O)NC1=O
InChI:   InChI=1/C5H3F3N2O3/c6-5(7,8)1-10-3(12)2(11)9-4(10)13/h1H2,(H,9,11,13)

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Potential Energy
Epot(MMFF94)=-0.672414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.084 g/mol  logS: -1.50479  SlogP: 0.047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138485  Sterimol/B1: 2.07772  Sterimol/B2: 3.54049  Sterimol/B3: 3.96832
  Sterimol/B4: 4.01464  Sterimol/L: 9.98141 
 
 Surface and Volume Properties
  Accessible surface: 308.356  Positive charged surface: 115.526  Negative charged surface: 192.83  Volume: 125.875
  Hydrophobic surface: 39.1039  Hydrophilic surface: 269.2521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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Ions/Tautomers related molecules: no related molecules available.