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PUBCHEM-ZINC01412312

 MMsINC code: MMs02802461
Type: Neutral
Formula: C21H20F4N2O2
SMILES:   Fc1ccc(cc1)C1N(C(C(=O)NCc2ccc(cc2)C(F)(F)F)(C)C)C(=O)C1
InChI:   InChI=1/C21H20F4N2O2/c1-20(2,27-17(11-18(27)28)14-5-9-16(22)10-6-14)19(29)26-12-13-3-7-15(8-4-13)21(23,24)25/h3-10,17H,11-12H2,1-2H3,(H,26,29)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.7146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.395 g/mol  logS: -5.4022  SlogP: 4.8863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114142  Sterimol/B1: 2.14089  Sterimol/B2: 3.98494  Sterimol/B3: 5.76864
  Sterimol/B4: 6.19244  Sterimol/L: 17.8813 
 
 Surface and Volume Properties
  Accessible surface: 633.173  Positive charged surface: 266.65  Negative charged surface: 323.305  Volume: 359.25
  Hydrophobic surface: 439.702  Hydrophilic surface: 193.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.