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CHEMDIV-ZINC06783110

 MMsINC code: MMs01022723
Type: Neutral
Formula: C20H17F2N3O2
SMILES:   Fc1ccccc1-c1noc(c1)C(=O)N1CCN(CC1)c1ccc(F)cc1
InChI:   InChI=1/C20H17F2N3O2/c21-14-5-7-15(8-6-14)24-9-11-25(12-10-24)20(26)19-13-18(23-27-19)16-3-1-2-4-17(16)22/h1-8,13H,9-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=166.069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.371 g/mol  logS: -5.08002  SlogP: 3.5822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417365  Sterimol/B1: 2.78561  Sterimol/B2: 4.41571  Sterimol/B3: 4.85265
  Sterimol/B4: 4.9548  Sterimol/L: 19.3608 
 
 Surface and Volume Properties
  Accessible surface: 599.199  Positive charged surface: 337.549  Negative charged surface: 261.649  Volume: 327
  Hydrophobic surface: 525.926  Hydrophilic surface: 73.273
 
 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: no related molecules available.