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PUBCHEM-ZINC05510599

 MMsINC code: MMs03291916
Type: Neutral
Formula: C4H3F3N2O2
SMILES:   FC1(F)C(=O)NC(=O)NC1F
InChI:   InChI=1/C4H3F3N2O2/c5-1-4(6,7)2(10)9-3(11)8-1/h1H,(H2,8,9,10,11)/t1-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.45496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.074 g/mol  logS: -1.04824  SlogP: 0.5965  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.21748  Sterimol/B1: 2.47459  Sterimol/B2: 2.88385  Sterimol/B3: 3.46273
  Sterimol/B4: 5.2737  Sterimol/L: 8.35888 
 
 Surface and Volume Properties
  Accessible surface: 276.206  Positive charged surface: 106.215  Negative charged surface: 169.991  Volume: 105.375
  Hydrophobic surface: 19.7583  Hydrophilic surface: 256.4477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.