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BACHEM-ZINC02384794

 MMsINC code: MMs00482864
Type: Neutral
Formula: C8H13F3N2O3
SMILES:   FC(F)(F)C(=O)NCCCCC(N)C(O)=O
InChI:   InChI=1/C8H13F3N2O3/c9-8(10,11)7(16)13-4-2-1-3-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.6605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.197 g/mol  logS: -1.13861  SlogP: 0.667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483611  Sterimol/B1: 2.59904  Sterimol/B2: 3.24172  Sterimol/B3: 3.41832
  Sterimol/B4: 3.75374  Sterimol/L: 14.9302 
 
 Surface and Volume Properties
  Accessible surface: 439.411  Positive charged surface: 233.312  Negative charged surface: 206.099  Volume: 196
  Hydrophobic surface: 133.88  Hydrophilic surface: 305.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.