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PUBCHEM-ZINC06072995

 MMsINC code: MMs03525780
Type: Neutral
Formula: C23H24F3NO3
SMILES:   FC(F)(F)C=1OC=2C(C=CC(=O)C=2CN(CCC)CCC)=C(O)C=1c1ccccc1
InChI:   InChI=1/C23H24F3NO3/c1-3-12-27(13-4-2)14-17-18(28)11-10-16-20(29)19(15-8-6-5-7-9-15)22(23(24,25)26)30-21(16)17/h5-11,29H,3-4,12-14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.12 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.443 g/mol  logS: -6.22461  SlogP: 5.7372  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.094158  Sterimol/B1: 2.46937  Sterimol/B2: 4.78463  Sterimol/B3: 5.52508
  Sterimol/B4: 7.63036  Sterimol/L: 17.0975 
 
 Surface and Volume Properties
  Accessible surface: 650.294  Positive charged surface: 378.729  Negative charged surface: 266.663  Volume: 380.875
  Hydrophobic surface: 470.411  Hydrophilic surface: 179.883
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03525781
PUBCHEM-ZINC06072995