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CHEMBRIDGE-ZINC01060188

 MMsINC code: MMs00655829
Type: Neutral
Formula: C22H24F2N2O2
SMILES:   Fc1ccc(cc1)CC(=O)NC1CCCCC1NC(=O)Cc1ccc(F)cc1
InChI:   InChI=1/C22H24F2N2O2/c23-17-9-5-15(6-10-17)13-21(27)25-19-3-1-2-4-20(19)26-22(28)14-16-7-11-18(24)12-8-16/h5-12,19-20H,1-4,13-14H2,(H,25,27)(H,26,28)/t19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.6815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.442 g/mol  logS: -5.1403  SlogP: 3.29354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0645011  Sterimol/B1: 2.45656  Sterimol/B2: 2.86008  Sterimol/B3: 4.26925
  Sterimol/B4: 8.97505  Sterimol/L: 19.1568 
 
 Surface and Volume Properties
  Accessible surface: 674.075  Positive charged surface: 414.112  Negative charged surface: 259.963  Volume: 364.75
  Hydrophobic surface: 613.891  Hydrophilic surface: 60.184
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.