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CHEMBRIDGE-ZINC00752289

 MMsINC code: MMs00642837
Type: Neutral
Formula: C20H23F3N2O2
SMILES:   FC(F)(F)c1cc(N2CCN(CC2)Cc2cc(OC)c(OC)cc2)ccc1
InChI:   InChI=1/C20H23F3N2O2/c1-26-18-7-6-15(12-19(18)27-2)14-24-8-10-25(11-9-24)17-5-3-4-16(13-17)20(21,22)23/h3-7,12-13H,8-11,14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=178.585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.41 g/mol  logS: -4.28423  SlogP: 4.6227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115658  Sterimol/B1: 2.21866  Sterimol/B2: 4.87544  Sterimol/B3: 5.31741
  Sterimol/B4: 6.4741  Sterimol/L: 17.2709 
 
 Surface and Volume Properties
  Accessible surface: 633.228  Positive charged surface: 419.882  Negative charged surface: 213.345  Volume: 347.25
  Hydrophobic surface: 493.062  Hydrophilic surface: 140.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00642838
CHEMBRIDGE-ZINC00752289