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NCID-ZINC04822403

 MMsINC code: MMs02409605
Type: Neutral
Formula: C11H14F3NO2
SMILES:   FC(F)(F)c1cc(N(CCO)CCO)ccc1
InChI:   InChI=1/C11H14F3NO2/c12-11(13,14)9-2-1-3-10(8-9)15(4-6-16)5-7-17/h1-3,8,16-17H,4-7H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.8209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.232 g/mol  logS: -1.96376  SlogP: 1.8079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176784  Sterimol/B1: 2.43507  Sterimol/B2: 2.51702  Sterimol/B3: 4.59525
  Sterimol/B4: 6.90582  Sterimol/L: 11.4072 
 
 Surface and Volume Properties
  Accessible surface: 433.592  Positive charged surface: 258.782  Negative charged surface: 174.81  Volume: 217.75
  Hydrophobic surface: 230.257  Hydrophilic surface: 203.335
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.