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PUBCHEM-ZINC01845766

 MMsINC code: MMs02823883
Type: Neutral
Formula: C8H7F3N2O
SMILES:   FC(F)(F)c1cc(N)c(cc1)C(=O)N
InChI:   InChI=1/C8H7F3N2O/c9-8(10,11)4-1-2-5(7(13)14)6(12)3-4/h1-3H,12H2,(H2,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.0402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.151 g/mol  logS: -2.41443  SlogP: 1.698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0222619  Sterimol/B1: 2.44546  Sterimol/B2: 2.58907  Sterimol/B3: 2.6867
  Sterimol/B4: 5.83574  Sterimol/L: 10.7655 
 
 Surface and Volume Properties
  Accessible surface: 351.832  Positive charged surface: 158.137  Negative charged surface: 193.694  Volume: 157.875
  Hydrophobic surface: 101.662  Hydrophilic surface: 250.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.