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CHEMBRIDGE-ZINC01055205

 MMsINC code: MMs00654427
Type: Neutral
Formula: C14H16F3NO2
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)NC(C)C1OCCC1
InChI:   InChI=1/C14H16F3NO2/c1-9(12-6-3-7-20-12)18-13(19)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,12H,3,6-7H2,1H3,(H,18,19)/t9-,12-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.7815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.281 g/mol  logS: -3.60979  SlogP: 3.3142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0827583  Sterimol/B1: 2.11597  Sterimol/B2: 2.39045  Sterimol/B3: 4.74841
  Sterimol/B4: 6.70488  Sterimol/L: 14.3471 
 
 Surface and Volume Properties
  Accessible surface: 487.342  Positive charged surface: 260.487  Negative charged surface: 226.855  Volume: 251.125
  Hydrophobic surface: 327.235  Hydrophilic surface: 160.107
 
 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.