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PUBCHEM-ZINC05977856

 MMsINC code: MMs03473247
Type: Neutral
Formula: C23H26F3NO
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)NC(\C(=C/CCC)\CCC)c1ccccc1
InChI:   InChI=1/C23H26F3NO/c1-3-5-10-17(9-4-2)21(18-11-7-6-8-12-18)27-22(28)19-13-15-20(16-14-19)23(24,25)26/h6-8,10-16,21H,3-5,9H2,1-2H3,(H,27,28)/b17-10-/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.3529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.461 g/mol  logS: -7.25992  SlogP: 7.1101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.338668  Sterimol/B1: 2.49625  Sterimol/B2: 4.22102  Sterimol/B3: 6.77654
  Sterimol/B4: 10.6657  Sterimol/L: 14.5917 
 
 Surface and Volume Properties
  Accessible surface: 661.071  Positive charged surface: 348.568  Negative charged surface: 312.503  Volume: 379.375
  Hydrophobic surface: 481.906  Hydrophilic surface: 179.165
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.