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PUBCHEM-ZINC06547243

 MMsINC code: MMs03790459
Type: Neutral
Formula: C20H22F3N3O2
SMILES:   FC(F)(F)Oc1ccc(NC(=O)N2CC(N(CC2)c2cc(ccc2)C)C)cc1
InChI:   InChI=1/C20H22F3N3O2/c1-14-4-3-5-17(12-14)26-11-10-25(13-15(26)2)19(27)24-16-6-8-18(9-7-16)28-20(21,22)23/h3-9,12,15H,10-11,13H2,1-2H3,(H,24,27)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.409 g/mol  logS: -5.18325  SlogP: 5.05612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0470838  Sterimol/B1: 3.34048  Sterimol/B2: 3.62122  Sterimol/B3: 4.13139
  Sterimol/B4: 5.07899  Sterimol/L: 20.8767 
 
 Surface and Volume Properties
  Accessible surface: 640.864  Positive charged surface: 366.121  Negative charged surface: 274.743  Volume: 351.25
  Hydrophobic surface: 465.232  Hydrophilic surface: 175.632
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.