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PUBCHEM-ZINC05599794

 MMsINC code: MMs03319857
Type: Neutral
Formula: C20H27F3N2O
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)N(C)C1CCCCC1N1CCCCC1
InChI:   InChI=1/C20H27F3N2O/c1-24(19(26)15-9-11-16(12-10-15)20(21,22)23)17-7-3-4-8-18(17)25-13-5-2-6-14-25/h9-12,17-18H,2-8,13-14H2,1H3/t17-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.5679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.443 g/mol  logS: -4.08953  SlogP: 4.886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143384  Sterimol/B1: 2.32738  Sterimol/B2: 4.0415  Sterimol/B3: 5.28041
  Sterimol/B4: 7.66878  Sterimol/L: 15.3729 
 
 Surface and Volume Properties
  Accessible surface: 582.369  Positive charged surface: 363.985  Negative charged surface: 218.383  Volume: 347.125
  Hydrophobic surface: 458.339  Hydrophilic surface: 124.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03319858
PUBCHEM-ZINC05599794