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PUBCHEM-ZINC02031026

 MMsINC code: MMs02858930
Type: Neutral
Formula: C20H24F3NO2
SMILES:   FC(F)(F)c1ccccc1C(OCCOCCN(C)C)c1ccccc1
InChI:   InChI=1/C20H24F3NO2/c1-24(2)12-13-25-14-15-26-19(16-8-4-3-5-9-16)17-10-6-7-11-18(17)20(21,22)23/h3-11,19H,12-15H2,1-2H3/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.411 g/mol  logS: -4.36606  SlogP: 4.7966  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166909  Sterimol/B1: 3.45148  Sterimol/B2: 4.58165  Sterimol/B3: 5.65289
  Sterimol/B4: 5.96296  Sterimol/L: 15.4248 
 
 Surface and Volume Properties
  Accessible surface: 622.149  Positive charged surface: 422.121  Negative charged surface: 200.028  Volume: 348.875
  Hydrophobic surface: 546.901  Hydrophilic surface: 75.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02858931
PUBCHEM-ZINC02031026