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PUBCHEM-ZINC05910603

 MMsINC code: MMs03440957
Type: Neutral
Formula: C18H14F3NO3
SMILES:   FC(F)(F)c1cc2NC(=O)/C(/c2cc1)=C/c1ccc(OC)cc1OC
InChI:   InChI=1/C18H14F3NO3/c1-24-12-5-3-10(16(9-12)25-2)7-14-13-6-4-11(18(19,20)21)8-15(13)22-17(14)23/h3-9H,1-2H3,(H,22,23)/b14-7+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.308 g/mol  logS: -5.14999  SlogP: 4.5268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112881  Sterimol/B1: 2.25375  Sterimol/B2: 2.61984  Sterimol/B3: 4.56877
  Sterimol/B4: 9.26054  Sterimol/L: 13.1818 
 
 Surface and Volume Properties
  Accessible surface: 547.437  Positive charged surface: 318.481  Negative charged surface: 228.956  Volume: 294.75
  Hydrophobic surface: 348.275  Hydrophilic surface: 199.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.