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PUBCHEM-ZINC05670425

 MMsINC code: MMs03341781
Type: Neutral
Formula: C24H24F3NO2
SMILES:   FC(F)(F)c1cc(ccc1)C1(O)N=C2C(CCCCC2)=C(C1)c1ccc(OC)cc1
InChI:   InChI=1/C24H24F3NO2/c1-30-19-12-10-16(11-13-19)21-15-23(29,28-22-9-4-2-3-8-20(21)22)17-6-5-7-18(14-17)24(25,26)27/h5-7,10-14,29H,2-4,8-9,15H2,1H3/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.272 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.455 g/mol  logS: -6.21346  SlogP: 6.7447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105127  Sterimol/B1: 2.7492  Sterimol/B2: 3.89484  Sterimol/B3: 4.40207
  Sterimol/B4: 9.24133  Sterimol/L: 17.7769 
 
 Surface and Volume Properties
  Accessible surface: 661.837  Positive charged surface: 392.741  Negative charged surface: 269.096  Volume: 381.5
  Hydrophobic surface: 511.054  Hydrophilic surface: 150.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.