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PUBCHEM-ZINC00717588

 MMsINC code: MMs02732745
Type: Neutral
Formula: C20H22F2N2O2
SMILES:   Fc1ccc(cc1)C(N1CCN(CC1)C(OCC)=O)c1ccc(F)cc1
InChI:   InChI=1/C20H22F2N2O2/c1-2-26-20(25)24-13-11-23(12-14-24)19(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,19H,2,11-14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2294 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.404 g/mol  logS: -4.23364  SlogP: 3.9238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103331  Sterimol/B1: 3.58985  Sterimol/B2: 4.22681  Sterimol/B3: 5.82149
  Sterimol/B4: 6.15048  Sterimol/L: 16.1959 
 
 Surface and Volume Properties
  Accessible surface: 607.782  Positive charged surface: 386.905  Negative charged surface: 220.877  Volume: 339.25
  Hydrophobic surface: 547.704  Hydrophilic surface: 60.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02732746
PUBCHEM-ZINC00717588