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NCID-ZINC04877029

 MMsINC code: MMs02411277
Type: Neutral
Formula: C12H7F3O3
SMILES:   FC(F)(F)C(=O)CC(=O)c1c2c(oc1)cccc2
InChI:   InChI=1/C12H7F3O3/c13-12(14,15)11(17)5-9(16)8-6-18-10-4-2-1-3-7(8)10/h1-4,6H,5H2

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Potential Energy
Epot(MMFF94)=55.3871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.179 g/mol  logS: -4.43138  SlogP: 3.5569  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0149512  Sterimol/B1: 2.46861  Sterimol/B2: 2.63725  Sterimol/B3: 2.63989
  Sterimol/B4: 5.44411  Sterimol/L: 14.1307 
 
 Surface and Volume Properties
  Accessible surface: 422.446  Positive charged surface: 153.983  Negative charged surface: 262.62  Volume: 203.625
  Hydrophobic surface: 242.145  Hydrophilic surface: 180.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02411279
NCID-ZINC04877029


MMs02411280
NCID-ZINC04877029


MMs02411278
NCID-ZINC04877029


MMs02411281
NCID-ZINC04877029