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NCID-ZINC05022244

MMsINC code: MMs02428831

Type: Neutral
Formula: C14H14F6O3
SMILES:   FC(F)(F)C(O)(C(C(OC(=O)C)c1ccccc1)C)C(F)(F)F
InChI:   InChI=1/C14H14F6O3/c1-8(12(22,13(15,16)17)14(18,19)20)11(23-9(2)21)10-6-4-3-5-7-10/h3-8,11,22H,1-2H3/t8-,11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=90.6137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.251 g/mol  logS: -4.14095  SlogP: 4.7179  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.284175  Sterimol/B1: 1.969  Sterimol/B2: 3.3919  Sterimol/B3: 5.43756
  Sterimol/B4: 7.02762  Sterimol/L: 12.6943 
 
 Surface and Volume Properties
  Accessible surface: 474.836  Positive charged surface: 190.18  Negative charged surface: 284.656  Volume: 262.125
  Hydrophobic surface: 270.774  Hydrophilic surface: 204.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.