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PUBCHEM-ZINC03188808

 MMsINC code: MMs03006339
Type: Neutral
Formula: C12H22F3NO
SMILES:   FC(F)(F)C(=O)N(CCCCC)CCCCC
InChI:   InChI=1/C12H22F3NO/c1-3-5-7-9-16(10-8-6-4-2)11(17)12(13,14)15/h3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.308 g/mol  logS: -3.85895  SlogP: 4.1776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584631  Sterimol/B1: 2.37364  Sterimol/B2: 2.90441  Sterimol/B3: 3.39864
  Sterimol/B4: 7.92986  Sterimol/L: 15.7835 
 
 Surface and Volume Properties
  Accessible surface: 505.841  Positive charged surface: 328.156  Negative charged surface: 177.686  Volume: 245.875
  Hydrophobic surface: 341.888  Hydrophilic surface: 163.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.