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PUBCHEM-ZINC06226682

 MMsINC code: MMs03621733
Type: Neutral
Formula: C25H26FN3O2
SMILES:   Fc1ccc(cc1)CNC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1N(C)C
InChI:   InChI=1/C25H26FN3O2/c1-29(2)23-14-13-21(28-24(30)15-10-18-6-4-3-5-7-18)16-22(23)25(31)27-17-19-8-11-20(26)12-9-19/h3-9,11-14,16H,10,15,17H2,1-2H3,(H,27,31)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.5 g/mol  logS: -5.43468  SlogP: 4.65937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553728  Sterimol/B1: 2.13981  Sterimol/B2: 2.79169  Sterimol/B3: 4.6913
  Sterimol/B4: 12.8065  Sterimol/L: 17.7783 
 
 Surface and Volume Properties
  Accessible surface: 759.722  Positive charged surface: 491.831  Negative charged surface: 267.89  Volume: 413
  Hydrophobic surface: 681.986  Hydrophilic surface: 77.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.